data_2kxd_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 2kxd _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 ' 1' ' ' MET . . . . . . . . . . . . . 3.0 tmm? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.795 0.331 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.08 48.13 3.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.446 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.9 160.34 31.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.721 . . . . 0.0 111.106 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 167.48 24.35 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.262 . . . . 0.0 112.328 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 147.2 62.86 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.623 0.725 . . . . 0.0 110.935 179.928 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.852 0.358 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.1 m -137.95 130.97 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.1 m -62.12 137.44 58.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.3 ptm -132.01 147.29 52.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -121.83 147.46 45.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.32 111.68 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.68 7.64 41.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -90.87 143.79 26.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.5 mt -98.76 108.11 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.1 mp -101.19 134.81 43.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.3 m -72.44 113.45 9.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.76 127.32 32.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.8 mt -112.85 -52.94 2.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -141.29 139.08 33.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -131.29 27.32 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 43.7 p -51.72 -30.36 22.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -98.34 152.46 19.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -96.13 -0.88 49.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -119.81 -40.29 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -113.99 123.47 49.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.8 m0 -116.53 128.77 55.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -85.53 115.64 23.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.3 m -133.9 179.42 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -128.45 125.46 38.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.8 p -143.51 144.68 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 54.74 38.02 29.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 63.46 27.2 15.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -132.35 136.19 46.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -104.41 135.93 44.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.38 -173.69 37.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -116.85 126.89 53.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -122.85 156.49 62.03 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.623 0.725 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 112.59 3.11 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.03 -27.95 55.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.79 -15.9 59.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.65 -20.99 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.6 m -116.24 -174.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.161 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -162.39 125.78 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 pttt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.878 179.859 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.901 0.382 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.3 m -127.77 142.57 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.127 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 tt -106.5 140.43 39.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.69 143.94 35.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.5 mt -104.5 -40.76 5.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -123.72 144.26 49.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -71.12 135.91 47.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.4 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.805 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.765 0.317 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.67 41.73 9.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.89 160.38 38.23 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.61 0.719 . . . . 0.0 111.108 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 167.68 23.73 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 139.48 40.34 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.261 . . . . 0.0 112.347 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 121.611 0.72 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.3 m -141.19 135.38 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 m -65.33 131.35 46.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.75 138.35 49.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -113.42 149.87 33.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -58.36 110.92 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.68 9.23 44.02 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -89.3 144.34 26.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.5 mt -96.16 113.74 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.185 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.8 mp -110.41 138.99 46.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 m -78.31 113.27 16.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.23 133.08 52.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.0 mt -119.78 -50.56 2.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -142.03 138.29 31.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 p -135.53 26.6 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 t -52.55 -32.2 39.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.095 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -101.89 148.14 25.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -93.06 16.33 13.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.56 -41.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -114.17 112.02 22.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -108.62 124.43 50.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -85.42 121.13 27.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.7 m -137.6 179.26 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -127.21 121.79 32.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.6 p -144.49 146.64 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 56.38 37.07 28.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.29 24.87 14.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -136.21 133.41 37.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -104.51 138.51 40.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.33 -176.09 39.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -107.6 125.91 51.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.899 0.38 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 m -123.44 156.29 64.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.723 . . . . 0.0 111.182 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 111.24 2.76 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.95 -25.14 42.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.16 -13.32 61.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -99.85 -22.54 15.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.5 m -115.39 -177.73 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.075 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.0 tttt -163.15 134.91 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.834 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.804 0.335 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.5 m -130.19 146.11 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.6 tp -114.1 142.59 46.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.85 144.99 40.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.0 mt -103.6 -40.89 6.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -119.06 160.85 21.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -83.84 132.46 34.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 55.2 t80 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.849 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 ptt? . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.796 0.332 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.14 42.66 6.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.68 160.42 31.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.721 . . . . 0.0 111.11 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 167.71 23.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.343 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 139.75 41.14 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.728 2.285 . . . . 0.0 112.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.65 0.738 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.925 0.393 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.9 m -138.56 135.13 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.7 m -60.97 118.45 6.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -124.22 147.26 48.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.852 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -135.45 153.74 51.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 121.88 11.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.48 -5.21 58.6 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.526 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -82.27 143.85 31.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.1 mt -100.78 110.05 26.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mp -104.68 140.2 38.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.1 m -80.77 113.64 19.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.193 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.11 134.74 56.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.6 mt -123.21 -51.07 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -136.32 133.92 37.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.4 p -142.13 36.19 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.3 t -65.34 -24.59 67.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.168 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.06 -178.9 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -123.33 18.38 9.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -137.1 -41.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -114.06 113.61 24.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -112.85 130.75 55.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -91.25 122.59 34.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.931 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.9 m -139.23 176.92 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -125.04 123.25 39.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.9 p -144.53 146.71 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 55.8 37.42 28.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 t70 63.42 25.63 14.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -134.81 131.93 38.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -104.47 129.72 52.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -164.08 -176.64 36.12 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -102.7 141.64 35.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.379 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 m -141.09 156.34 68.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.616 0.722 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 111.78 2.91 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.691 2.261 . . . . 0.0 112.359 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.84 -28.59 57.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.34 -16.3 59.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -96.77 -23.15 16.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.5 m -112.12 -178.05 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -157.73 125.88 5.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.6 tttm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.915 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.807 0.337 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.5 m -135.04 146.86 29.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.143 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 tt -119.31 142.11 48.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.94 139.98 40.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 76.8 mt -99.55 -42.22 7.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -111.52 167.66 10.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -91.4 129.4 37.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.5 t80 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.778 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.805 0.336 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.12 48.47 5.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.49 160.43 33.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 167.71 23.61 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 156.69 62.57 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.664 2.242 . . . . 0.0 112.374 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 121.625 0.726 . . . . 0.0 110.871 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.892 0.377 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.0 m -138.63 129.92 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.5 m -52.49 130.18 30.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.8 ptm -134.78 129.29 34.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -120.47 148.74 43.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.87 130.77 29.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.13 -7.94 72.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.476 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.65 130.92 35.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.321 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.7 mt -94.96 103.11 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.8 mp -94.31 142.84 26.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 m -77.28 111.65 13.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.45 135.13 56.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.7 mt -124.38 -54.95 1.67 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -128.06 132.52 49.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.1 p -132.51 39.35 3.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.4 p -69.07 -60.23 2.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -74.07 150.42 40.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -94.27 17.95 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -135.06 -41.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -114.02 118.67 34.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.8 m0 -115.12 141.2 48.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -97.67 119.83 36.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 34.7 m -136.18 175.48 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -123.2 122.5 38.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.1 p -141.4 147.06 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.08 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 57.17 40.86 27.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 60.75 21.53 11.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -128.98 161.8 29.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -121.94 136.63 54.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.17 -176.93 39.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -112.31 142.16 45.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -138.72 156.56 72.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 113.27 3.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.95 -23.67 47.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.66 -12.0 60.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -101.97 -25.09 13.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.5 m -113.35 -178.21 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -162.93 136.88 6.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.879 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.898 0.38 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.6 m -127.96 145.36 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 tt -112.65 138.42 49.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.52 142.12 41.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.3 mt -100.0 -46.11 5.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -110.2 164.51 12.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -91.83 119.87 32.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 50.9 t80 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.85 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 ptt? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.814 0.34 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.29 43.72 9.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.5 160.47 29.49 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.709 . . . . 0.0 111.112 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 167.67 23.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 144.33 53.55 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.657 2.238 . . . . 0.0 112.325 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.624 0.726 . . . . 0.0 110.907 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.914 0.388 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.2 m -143.87 131.71 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 m -59.62 126.01 25.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.3 135.36 48.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -123.13 142.86 50.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -51.79 121.08 5.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.65 -10.27 32.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.471 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -89.88 139.33 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.321 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.2 mt -96.71 102.98 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 mp -88.76 140.8 29.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 m -76.01 108.27 8.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.04 133.41 55.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.0 mt -123.2 -57.91 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.992 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -125.88 130.8 52.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 p -142.1 40.15 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.0 t -72.62 -25.4 61.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -99.83 179.94 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -123.79 25.52 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -141.61 -46.36 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -114.0 115.66 27.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -112.54 132.81 54.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -91.37 118.35 30.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.8 m -136.34 174.42 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -123.15 115.92 22.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -137.53 146.83 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 56.33 41.14 29.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 59.89 23.4 12.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.92 143.05 50.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -112.36 131.14 55.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.6 -177.92 41.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.527 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -98.66 156.31 16.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.39 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.5 m -153.92 155.91 31.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.641 0.734 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 111.7 2.88 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.695 2.264 . . . . 0.0 112.347 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.86 -24.21 49.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.43 -12.23 60.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -100.87 -24.26 14.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.1 m -111.54 179.89 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.91 134.12 6.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.88 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.8 m -130.04 141.7 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 tt -110.28 139.39 45.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.51 138.38 41.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.9 mt -96.62 -39.89 9.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -114.85 179.14 4.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -101.46 129.6 47.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.0 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.816 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.816 0.341 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.52 45.73 13.29 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.446 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.14 160.45 30.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 111.054 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 167.57 24.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 146.53 60.44 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.601 0.715 . . . . 0.0 110.892 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.831 0.348 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.3 m -144.0 135.84 22.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.8 m -66.23 144.88 56.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.7 ptm -148.74 148.28 29.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -142.17 154.42 44.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 122.96 8.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.27 2.97 58.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.447 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -96.99 129.63 44.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.748 0.308 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 69.7 mt -90.82 135.71 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 mp -129.95 133.31 46.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.6 m -72.46 112.4 8.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.73 129.15 38.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.97 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.5 mt -117.15 -50.94 2.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -138.7 135.98 35.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.1 p -138.01 25.68 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.9 p -59.54 -24.23 63.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.197 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -94.91 159.86 14.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -108.12 20.65 18.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -141.48 -44.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -114.03 121.88 45.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -113.09 128.87 56.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.951 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -86.58 113.94 22.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.7 m -130.07 175.16 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -120.86 118.86 31.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.5 p -140.71 147.11 23.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 58.68 38.65 25.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 62.39 19.3 11.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 mtp85 -128.47 163.58 24.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -123.02 136.16 54.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.75 -176.49 38.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -109.36 148.71 30.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.5 m -145.81 156.08 51.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.65 0.738 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 115.83 4.28 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.679 2.252 . . . . 0.0 112.305 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.2 -20.82 57.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.21 -8.88 57.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -105.85 -26.0 11.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.2 m -112.86 175.32 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.163 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -155.92 126.2 6.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 pttp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.84 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.871 0.367 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.3 m -122.33 159.82 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.8 tp -128.4 139.42 52.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.32 137.95 40.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.2 mt -97.92 -44.92 6.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -108.5 176.18 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -100.92 122.97 44.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 31.8 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 -179.892 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 ptt? . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.819 0.342 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.05 46.57 4.72 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.51 160.41 36.81 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.578 0.704 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 167.53 24.19 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.34 56.62 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.645 2.23 . . . . 0.0 112.326 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.643 0.735 . . . . 0.0 110.897 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.86 0.362 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.1 m -141.5 135.84 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 m -73.6 134.86 43.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -140.29 147.3 39.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -137.14 157.22 47.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -51.5 117.25 2.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.95 6.95 51.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.471 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -97.8 134.87 40.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.766 0.317 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.8 mm -91.76 136.97 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mp -135.75 129.28 32.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 83.9 m -71.56 119.59 15.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.68 130.94 43.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.6 mt -117.71 -52.43 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -139.8 139.84 36.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 p -137.41 35.05 2.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.8 p -60.45 -43.85 96.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.144 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -82.45 148.06 28.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -93.67 18.02 10.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -136.4 -41.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -114.15 125.79 54.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -116.48 128.54 55.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -85.54 115.37 23.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.4 m -132.9 -179.55 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -130.14 120.86 25.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 p -139.96 147.11 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 56.71 43.44 25.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 58.47 21.8 8.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -127.62 157.03 41.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.67 146.83 44.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.4 -167.5 38.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.517 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -122.46 145.62 48.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.3 m -139.56 156.13 71.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 111.138 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 117.52 5.13 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.343 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.96 -21.15 57.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.31 -9.71 58.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -106.07 -25.52 12.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 20.4 m -114.54 -178.7 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -163.11 136.11 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.0 tttp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.851 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.2 m -123.33 152.24 28.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.6 tp -119.98 146.98 45.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.12 136.76 36.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 48.0 mt -96.8 -43.54 7.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -110.43 -171.84 1.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -110.89 122.36 47.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 27.5 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.82 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.2 mtm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.779 0.323 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.48 44.5 41.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.5 160.48 39.11 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 167.71 23.66 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.248 . . . . 0.0 112.329 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 139.53 40.5 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.355 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.636 0.731 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.926 0.393 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.6 m -140.28 135.06 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 m -62.33 132.41 52.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.2 ptm -130.45 111.78 12.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.15 146.1 24.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 116.19 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.19 12.41 54.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -90.04 137.44 32.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.761 0.315 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.6 mt -94.22 103.05 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 mp -97.67 132.42 43.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.9 m -71.3 109.57 5.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.08 123.56 18.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.5 mt -108.88 -49.25 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -145.83 135.35 23.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 p -127.6 23.85 6.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 t -51.73 -31.8 27.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -92.97 174.49 7.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -114.24 -20.35 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -107.01 -35.75 6.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -113.96 120.03 39.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.8 m0 -117.57 132.7 56.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.54 119.93 29.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.7 m -139.74 173.14 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -123.55 120.66 33.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 p -143.63 146.67 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 54.83 44.01 29.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.6 t70 56.8 24.71 9.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -136.73 130.42 31.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -104.44 138.73 40.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.67 -175.06 41.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -99.13 144.45 28.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -143.11 156.52 61.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 108.88 2.18 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.634 2.223 . . . . 0.0 112.376 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.52 -24.32 45.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.04 -11.75 61.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -100.05 -23.14 14.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.3 m -116.25 -179.23 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -160.59 138.14 9.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.894 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.8 m -127.71 141.47 46.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.3 tp -105.82 141.71 36.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.06 137.55 41.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 43.6 mt -98.52 -40.59 8.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -115.78 170.72 8.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -94.81 121.3 36.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 66.9 t80 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.817 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 ttp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.805 0.336 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.63 38.43 20.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.64 160.39 47.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.589 0.709 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 167.75 23.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 139.54 40.37 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.633 2.222 . . . . 0.0 112.353 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 0.0 110.913 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.903 0.382 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.8 m -138.99 133.43 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 m -61.64 140.32 58.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -143.68 136.46 27.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -121.24 144.54 48.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 126.14 17.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.6 -14.6 46.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.483 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -87.32 135.68 33.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.2 mt -94.98 104.16 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mt -88.81 141.8 28.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 m -74.28 109.84 8.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.02 118.54 8.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.1 mt -101.19 -51.65 3.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -148.94 140.14 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -129.87 33.03 4.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.9 p -51.51 -43.52 62.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.171 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.23 -179.25 7.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -113.29 -23.05 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -113.41 -23.46 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -114.0 112.04 22.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -116.34 131.26 56.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -91.78 120.45 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 34.9 m -135.12 177.96 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -122.52 121.31 36.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.0 p -144.5 146.71 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 56.41 40.78 29.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.29 23.05 11.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -135.14 137.15 42.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.46 ' H ' ' NE2' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -104.3 138.64 40.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -172.63 -176.41 41.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.497 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -100.47 151.74 21.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -151.24 156.49 35.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.585 0.707 . . . . 0.0 111.12 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 108.38 2.06 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.626 2.217 . . . . 0.0 112.386 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.86 -30.53 58.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.9 -17.72 57.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.072 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -93.55 -22.1 19.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.9 m -116.02 -173.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -161.7 129.07 4.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.1 pttp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.917 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.905 0.383 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.9 m -131.81 136.81 56.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 tt -107.75 142.35 37.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.17 142.77 41.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.1 mt -103.71 -37.9 7.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -115.43 -174.75 2.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -106.38 125.29 50.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 68.9 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.84 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ttt . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.882 0.373 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.35 46.21 7.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.71 160.41 32.77 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.568 0.699 . . . . 0.0 111.096 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 167.73 23.61 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.636 2.224 . . . . 0.0 112.369 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 145.6 57.35 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.636 2.224 . . . . 0.0 112.364 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.887 0.375 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.1 m -141.47 133.71 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.6 m -54.8 126.51 24.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.6 ptm -134.12 129.19 35.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -122.96 147.86 46.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.06 130.55 30.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.08 -5.13 78.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.49 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -84.68 142.85 29.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.783 0.325 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 63.2 mt -98.89 113.27 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mp -106.97 133.0 52.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 m -70.95 104.81 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.97 132.65 54.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.3 mt -124.23 -59.26 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -118.12 133.71 55.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.2 p -138.01 24.45 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.4 p -62.42 -36.69 83.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.179 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -85.6 178.35 7.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -120.31 -8.01 9.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -118.07 -37.63 3.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -114.02 118.38 33.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -116.98 143.21 45.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -98.7 122.67 42.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.1 m -139.85 171.99 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -122.24 114.6 21.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.8 p -137.09 146.77 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 55.74 42.98 28.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.2 t70 57.69 23.44 9.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.5 mmt-85 -134.88 131.73 37.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.34 138.67 40.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.89 -174.29 40.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -98.17 153.4 18.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.841 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -154.36 156.53 31.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.658 0.742 . . . . 0.0 111.103 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 108.09 2.0 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.7 2.266 . . . . 0.0 112.327 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.83 -25.4 41.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.08 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.73 -17.56 64.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -93.2 -25.47 17.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.2 m -112.84 -176.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -162.29 133.2 4.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.847 0.356 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.4 m -130.42 141.79 45.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 tp -113.25 148.79 34.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.36 144.45 34.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.5 mt -102.92 -45.28 5.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -110.83 -178.68 3.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -103.72 129.36 51.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 45.6 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.849 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 mmm . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.798 0.332 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.68 45.18 7.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.41 160.4 33.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.595 0.712 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 167.7 23.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.353 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 146.06 58.93 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.581 0.705 . . . . 0.0 110.928 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.929 0.395 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.8 m -135.77 135.33 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 m -65.25 125.58 25.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.7 ptm -127.07 136.05 51.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -125.55 147.27 49.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -51.77 112.36 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.17 6.84 33.64 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.469 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.99 138.94 33.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.8 mp -98.99 117.36 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 mp -109.57 142.55 40.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.0 m -79.92 109.31 14.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.09 133.61 56.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mt -124.07 -54.1 1.72 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -128.9 131.55 47.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.7 p -133.23 39.72 3.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.7 p -68.25 -58.21 4.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -80.19 152.07 29.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -95.55 24.21 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -138.44 -43.45 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -113.95 110.09 19.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -108.2 138.9 43.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -96.89 122.06 39.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.9 m -140.01 172.99 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -124.06 115.18 20.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 p -138.14 146.72 26.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 55.51 42.62 29.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 58.06 24.04 10.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -136.14 131.74 35.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -104.43 138.8 40.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.95 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.75 -175.32 38.72 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -107.53 125.55 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 m -122.46 156.69 60.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.633 0.73 . . . . 0.0 111.145 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 114.35 3.68 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.8 -20.14 54.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.48 -7.76 53.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -105.19 -24.88 12.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.0 m -114.31 -175.74 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.12 132.62 4.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.855 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.9 0.381 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.8 m -126.09 152.75 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.3 tp -117.21 144.37 44.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.09 136.03 35.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.0 mt -96.54 -49.1 5.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -108.16 168.7 9.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -95.15 122.42 37.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 44.1 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.864 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.791 0.329 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.0 42.23 11.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.4 160.35 33.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.546 0.689 . . . . 0.0 111.118 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 167.74 23.52 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 139.86 41.26 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.653 2.235 . . . . 0.0 112.353 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.674 0.75 . . . . 0.0 110.872 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.886 0.374 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.9 m -144.5 133.18 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 m -60.76 118.34 6.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.4 ptm -120.6 140.94 50.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -127.5 143.58 51.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 130.41 29.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.02 -6.99 73.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.528 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.49 138.02 31.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.778 0.323 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.0 mt -98.31 109.45 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.151 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mp -95.92 141.17 29.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 m -73.88 104.92 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.49 135.09 57.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.4 mt -127.59 -56.32 1.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -120.98 129.93 53.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -137.77 34.44 2.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.3 t -73.6 -35.45 65.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.16 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -86.26 169.56 12.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -114.56 12.24 17.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.57 -43.55 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -113.74 120.69 41.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -116.38 141.42 48.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.67 121.57 38.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.6 m -139.12 176.13 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -123.35 118.43 27.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -144.61 146.77 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 59.0 38.47 24.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 62.0 17.51 9.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -135.89 137.81 41.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.58 154.63 20.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 174.5 -175.7 46.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -99.2 144.42 28.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 m -145.25 156.92 53.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.667 0.746 . . . . 0.0 111.111 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 110.42 2.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.76 -30.29 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.87 -16.74 59.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -93.2 -21.9 19.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 20.1 m -115.09 -174.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -162.49 131.43 4.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.869 0.366 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.5 m -128.12 146.06 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 tt -110.61 139.32 45.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.03 140.78 39.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.2 mt -100.73 -44.66 5.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -112.46 154.77 25.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -81.51 127.82 33.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 60.8 t80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.786 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ptt? . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.869 0.366 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.16 66.71 1.59 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -102.26 160.34 26.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.701 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 167.68 23.72 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 144.14 53.42 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.273 . . . . 0.0 112.385 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 121.651 0.739 . . . . 0.0 110.865 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.878 0.37 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.2 m -145.28 130.07 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -61.07 119.16 7.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.58 147.97 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -121.14 144.07 48.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -56.98 107.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.33 14.03 29.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -93.03 144.09 25.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.77 0.319 . . . . 0.0 110.854 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 64.3 mt -92.99 110.34 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mp -106.3 139.71 40.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.2 m -75.54 105.71 6.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.61 132.07 52.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.0 mt -123.79 -56.15 1.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -122.83 131.29 53.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.1 p -138.21 31.4 2.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.0 p -69.82 -39.54 76.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -83.46 168.77 16.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -114.53 14.64 17.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.49 -44.43 0.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -114.05 119.65 37.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -113.81 140.2 48.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -95.92 120.92 37.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.1 m -139.99 170.66 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -119.67 119.93 35.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -143.02 146.73 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 55.61 42.98 28.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 57.57 23.64 9.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -135.66 132.71 37.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.34 138.65 40.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.58 -170.47 35.65 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -108.79 143.61 37.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.14 156.42 64.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.593 0.711 . . . . 0.0 111.179 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 111.66 2.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.302 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.82 -27.45 60.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.94 -15.11 61.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.053 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -97.91 -22.28 16.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.963 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.3 m -114.16 -175.68 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.6 tptt -161.07 125.23 3.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.906 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.855 0.359 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.9 m -127.96 148.02 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.6 tp -117.07 135.82 53.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.23 153.15 40.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.5 mt -108.73 -46.69 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -119.62 147.06 44.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -66.03 139.19 58.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 91.9 t80 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.847 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpt . . . . . 0 N--CA 1.458 -0.043 0 CA-C-O 120.8 0.333 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.54 44.7 4.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.86 160.38 46.92 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.609 0.719 . . . . 0.0 111.082 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 167.64 23.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 0.0 112.395 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 145.77 58.24 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.751 2.301 . . . . 0.0 112.319 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.635 0.731 . . . . 0.0 110.888 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.854 0.359 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.1 m -145.6 129.9 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.6 m -58.49 129.06 40.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.9 ptm -131.95 136.05 47.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -114.22 141.12 47.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -55.0 110.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.4 7.19 32.71 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.496 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -93.09 136.29 33.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.343 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.6 mt -88.56 106.62 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 mt -100.01 134.05 43.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 m -67.21 107.38 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.62 131.52 48.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.7 mt -119.62 -56.9 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.39 135.97 50.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.5 m -140.0 37.72 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.4 t -76.91 -35.71 57.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -80.03 165.64 22.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -114.36 27.64 9.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -152.17 -45.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -114.03 115.85 28.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -108.54 143.45 37.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -96.07 116.14 28.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.0 m -132.71 175.57 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -125.15 115.4 20.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -131.83 146.75 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 55.76 41.33 30.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 59.27 24.35 12.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -130.79 144.69 51.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.46 138.27 41.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -174.05 -174.8 41.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -109.34 156.53 19.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 m -154.52 156.57 31.72 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.628 0.728 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 109.89 2.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.17 -28.57 53.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.67 -16.02 59.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.073 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -96.53 -26.19 15.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.3 m -111.42 -174.0 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -162.64 133.53 4.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.871 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.7 m -131.75 141.42 45.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 tp -112.96 138.92 49.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.61 149.63 43.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.4 mt -106.84 -44.54 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -113.23 173.49 6.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -93.86 133.87 36.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 74.4 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.85 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 mtt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.813 0.339 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.43 51.65 25.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.07 160.44 33.59 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.579 0.704 . . . . 0.0 111.096 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 167.69 23.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.49 40.34 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.721 . . . . 0.0 110.86 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.87 0.367 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.3 m -139.31 131.31 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 36.2 m -60.08 123.53 17.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.3 ptm -123.72 129.06 50.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -107.18 134.27 50.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -53.38 114.11 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.62 0.61 30.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.53 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -99.37 140.24 33.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.2 mt -89.71 130.84 38.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mt -116.79 136.86 52.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 m -70.41 104.08 2.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.13 132.29 53.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 mt -121.82 -57.78 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -126.87 132.52 50.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 p -141.42 26.06 1.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.9 t -63.14 -27.53 69.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.191 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -97.81 175.95 5.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.7 pttm -123.71 25.91 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.17 -60.98 0.94 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -113.93 112.66 23.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -98.54 137.03 37.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -91.2 116.81 29.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.5 m -134.85 174.91 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.086 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -121.72 115.63 23.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 p -134.4 146.74 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.194 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 55.92 41.98 29.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 58.2 23.69 10.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -131.16 145.66 52.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.53 138.27 41.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -172.97 -166.22 31.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -121.96 159.16 27.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.921 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 m -154.58 156.81 31.92 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.602 0.715 . . . . 0.0 111.139 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 115.68 4.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.244 . . . . 0.0 112.337 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.06 -22.89 42.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.2 -11.38 60.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -104.97 -25.92 12.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.964 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.0 m -111.1 179.58 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.177 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.8 tttt -163.2 131.41 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.839 0.352 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.1 m -125.55 156.13 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 tt -125.09 158.39 33.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.21 139.31 30.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 41.9 mt -97.88 -47.42 5.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -108.87 -177.54 3.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.957 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -102.79 132.56 48.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.5 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.808 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.49 55.72 14.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.51 160.45 34.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 167.68 23.81 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 2.283 . . . . 0.0 112.32 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 139.35 39.98 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.661 2.241 . . . . 0.0 112.389 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.582 0.706 . . . . 0.0 110.94 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.855 0.36 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.2 m -139.17 134.0 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.7 m -54.21 115.33 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.9 ptm -112.76 115.07 27.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -89.85 145.13 25.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -58.73 110.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.49 12.2 42.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -89.09 145.09 25.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 63.4 mt -93.17 108.07 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mp -103.14 138.56 39.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.9 m -79.62 109.85 14.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.67 134.74 56.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.7 mt -125.86 -48.33 1.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.969 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -134.37 132.87 39.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.5 p -140.3 28.2 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -59.86 -27.79 66.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.152 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -98.94 -175.98 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -125.09 -0.82 7.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -118.85 -41.2 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -113.98 117.81 32.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -116.7 136.17 53.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.16 122.23 37.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.958 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.8 m -139.96 176.26 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -125.68 117.19 22.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.6 p -137.65 146.69 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 56.46 41.74 28.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 59.07 22.59 10.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -131.03 134.64 46.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.42 138.58 40.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.56 -170.72 38.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -107.0 154.44 21.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.906 0.384 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 m -153.63 156.48 32.3 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.626 0.727 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 110.96 2.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.351 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.94 -24.7 59.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.107 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.6 -12.06 60.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -99.95 -19.38 16.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.1 m -120.55 -178.01 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.163 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -162.87 139.46 7.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.911 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.886 0.374 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.8 m -127.72 148.77 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.5 tp -116.24 144.82 43.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.16 141.74 41.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.6 mt -100.51 -46.34 5.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -117.64 149.31 40.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -71.63 129.39 38.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 62.7 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.845 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 tpt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.69 42.49 11.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.61 160.5 36.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.71 . . . . 0.0 111.104 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 167.68 23.74 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 139.4 40.17 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.727 2.285 . . . . 0.0 112.367 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.626 0.727 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.891 0.377 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.2 m -138.31 132.07 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.6 m -62.14 134.38 56.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.93 136.51 28.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.61 152.56 47.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.36 122.66 10.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.29 -5.4 49.01 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.537 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -87.41 143.21 27.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.783 0.325 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mt -100.83 109.95 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.8 mp -103.75 134.95 46.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.9 m -72.16 111.73 7.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.99 128.34 35.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.7 mt -119.64 -51.2 2.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.53 139.22 49.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 p -151.16 36.54 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.6 t -66.42 -24.84 66.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -93.27 168.6 10.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -114.13 25.54 11.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -142.57 -47.73 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -113.96 126.62 55.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -116.54 131.3 56.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -86.55 114.63 23.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.8 m -138.41 176.12 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -128.48 120.56 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 p -137.18 146.49 27.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.0 m120 51.83 48.51 22.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 53.58 28.22 7.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -131.49 135.82 47.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -104.49 136.86 43.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.91 179.45 48.65 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.535 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -101.75 157.26 16.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.905 0.383 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.3 m -150.4 156.16 36.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.651 0.738 . . . . 0.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 114.98 3.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.06 -19.48 53.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.46 -6.57 49.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -107.31 -24.34 11.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.8 m -114.86 179.4 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -161.37 135.28 6.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.2 pttt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.862 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.872 0.368 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.6 m -126.04 144.27 36.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 tp -111.68 148.02 34.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.03 144.94 36.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.1 mt -103.66 -39.43 6.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -116.17 -172.9 2.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -108.36 129.56 55.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 41.1 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.801 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.796 0.331 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.7 37.99 6.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.71 160.41 50.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.708 . . . . 0.0 111.121 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 167.77 23.49 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.62 48.4 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.316 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.901 0.381 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.2 m -137.0 132.99 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 m -58.54 118.11 5.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.4 ptm -120.18 142.75 48.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -130.57 144.48 51.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.81 128.29 23.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.86 -3.75 67.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.49 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -86.31 145.13 27.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 60.9 mt -101.33 112.48 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 mp -104.31 133.69 48.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -70.61 108.68 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.86 127.27 32.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.4 mt -119.44 -54.92 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -121.7 130.96 53.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.5 p -139.96 33.69 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -69.76 -30.71 68.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.129 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.82 -179.99 6.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -123.67 -3.84 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -118.21 -45.67 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -113.87 122.88 48.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -116.97 144.87 44.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -98.02 118.79 35.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.4 m -139.91 175.3 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -126.5 111.96 15.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.1 p -128.85 146.74 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.6 m120 52.02 48.55 22.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 53.39 27.97 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -131.44 134.15 45.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -104.37 134.28 47.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.98 -174.8 44.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -103.58 155.86 18.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -154.36 156.84 32.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.711 . . . . 0.0 111.133 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 116.51 4.59 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.369 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.53 -23.61 67.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.01 -10.88 60.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.063 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -100.13 -18.37 16.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.0 m -122.09 -175.85 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -157.98 133.08 8.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.845 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.848 0.356 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.4 m -132.97 143.54 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 tp -108.58 150.92 26.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.34 142.46 30.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.066 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.2 mt -105.36 -45.45 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -115.46 160.56 19.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -85.72 128.74 34.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 52.0 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.813 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.034 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.04 47.71 17.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.67 160.49 32.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 111.086 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 167.78 23.51 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.627 2.218 . . . . 0.0 112.36 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.37 56.91 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.642 0.734 . . . . 0.0 110.94 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.907 0.384 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.3 m -144.43 134.28 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 m -58.03 137.78 56.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.6 ptm -132.93 137.8 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -115.56 137.29 52.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -53.14 114.16 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.25 6.88 44.37 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -95.1 133.38 38.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.781 0.324 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 72.0 mt -88.01 103.2 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 mt -92.55 139.79 30.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.947 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.9 m -73.7 107.92 6.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.66 124.89 23.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.2 mt -111.39 -47.73 3.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -145.94 134.54 22.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.5 m -131.17 26.5 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 t -51.44 -30.38 19.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -96.62 177.64 5.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -117.12 -14.64 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -109.39 -37.01 5.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -114.03 118.29 33.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -117.12 132.03 56.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -90.78 115.67 28.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.76 177.21 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.64 122.43 39.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.7 p -140.73 144.92 26.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 54.86 37.81 29.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.62 27.09 14.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.1 tpt85 -132.42 135.66 46.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -104.42 126.01 51.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -166.54 -172.22 33.58 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -104.36 156.33 18.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -154.18 156.57 31.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.623 0.725 . . . . 0.0 111.12 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 108.65 2.12 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.731 2.287 . . . . 0.0 112.342 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.14 -26.53 39.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.04 -19.28 65.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.091 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -92.23 -24.46 19.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 20.3 m -113.05 -174.53 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -163.11 124.56 2.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.797 0.332 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.9 m -126.2 145.36 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.174 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.1 tp -114.78 137.07 52.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.965 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.43 151.27 41.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.7 mt -108.81 -43.39 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -112.85 177.33 4.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -103.32 127.53 50.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.7 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.869 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ttt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.31 47.12 8.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.73 160.43 38.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.601 0.715 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 167.7 23.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.635 2.224 . . . . 0.0 112.384 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.92 43.86 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.656 2.238 . . . . 0.0 112.351 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.0 m -139.19 135.64 41.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m -59.62 137.66 57.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.9 ptm -139.86 125.51 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.54 146.38 31.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.02 110.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.99 16.41 33.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -91.43 152.03 20.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.0 mt -99.25 121.26 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 mp -121.61 136.19 54.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.6 m -80.45 114.13 19.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.11 131.14 45.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.5 mt -120.64 -48.41 2.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -143.45 138.55 29.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 m -131.65 35.62 3.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.0 p -60.08 -31.86 70.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -117.03 109.1 16.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -51.45 -28.24 12.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -74.91 -50.64 16.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -114.26 118.33 33.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.2 m0 -108.3 128.06 54.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -85.45 112.29 20.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.9 m -132.63 176.52 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.113 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -124.92 121.14 33.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.8 p -144.55 146.63 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 54.77 44.13 28.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 56.65 24.86 9.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -136.01 130.75 34.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.44 138.69 40.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -174.69 -174.63 41.56 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -103.01 142.48 34.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.91 0.386 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -140.02 156.43 70.39 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.649 0.738 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 111.12 2.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.231 . . . . 0.0 112.305 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.99 -23.85 49.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.82 -12.59 61.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -99.64 -22.55 15.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.2 m -119.26 -173.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -156.82 135.73 11.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.857 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.851 0.357 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.4 m -129.78 138.79 53.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.1 tp -106.28 138.32 42.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.26 154.25 33.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 60.6 mt -115.18 -42.62 3.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -111.34 170.78 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -95.68 125.4 40.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 78.8 t80 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.93 -179.836 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 tmm? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.795 0.331 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.08 48.13 3.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.446 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.9 160.34 31.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.721 . . . . 0.0 111.106 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 167.48 24.35 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.262 . . . . 0.0 112.328 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 147.2 62.86 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mt -66.65 159.34 74.88 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.623 0.725 . . . . 0.0 110.935 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 167.14 25.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.298 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -48.22 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.659 2.239 . . . . 0.0 112.327 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -89.39 -169.97 2.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -157.39 149.29 22.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.847 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.7 -65.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.65 73.46 0.68 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.24 -146.05 9.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.8 mmt-85 -98.69 143.24 29.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -114.07 -173.47 2.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.1 m -137.95 130.97 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.1 m -62.12 137.44 58.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.3 ptm -132.01 147.29 52.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -121.83 147.46 45.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.32 111.68 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.68 7.64 41.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -90.87 143.79 26.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.5 mt -98.76 108.11 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.1 mp -101.19 134.81 43.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.3 m -72.44 113.45 9.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.76 127.32 32.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.8 mt -112.85 -52.94 2.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -141.29 139.08 33.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -131.29 27.32 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 43.7 p -51.72 -30.36 22.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -98.34 152.46 19.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -96.13 -0.88 49.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -119.81 -40.29 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -113.99 123.47 49.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.8 m0 -116.53 128.77 55.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -85.53 115.64 23.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.3 m -133.9 179.42 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -128.45 125.46 38.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.8 p -143.51 144.68 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 54.74 38.02 29.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 63.46 27.2 15.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -132.35 136.19 46.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -104.41 135.93 44.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.38 -173.69 37.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -116.85 126.89 53.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -122.85 156.49 62.03 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.623 0.725 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 112.59 3.11 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.03 -27.95 55.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.79 -15.9 59.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.65 -20.99 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.6 m -116.24 -174.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.161 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -162.39 125.78 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 pttt -51.85 148.1 6.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.878 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.16 97.77 5.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -130.2 69.42 1.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.8 m -73.75 -26.42 60.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.67 45.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 t -112.88 -32.37 6.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.81 0.338 . . . . 0.0 111.139 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.17 -48.46 1.13 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.425 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.34 145.32 11.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.734 0.302 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -88.61 86.84 7.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -126.95 148.74 50.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.3 m -127.77 142.57 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.127 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 tt -106.5 140.43 39.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.69 143.94 35.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.5 mt -104.5 -40.76 5.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -123.72 144.26 49.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -71.12 135.91 47.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -144.57 148.72 34.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -142.42 137.93 30.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.8 mp0 -51.95 136.67 28.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -151.71 118.74 5.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.9 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.765 0.317 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.67 41.73 9.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.89 160.38 38.23 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.61 0.719 . . . . 0.0 111.108 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 167.68 23.73 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 139.48 40.34 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.261 . . . . 0.0 112.347 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.9 159.71 67.85 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.611 0.72 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 167.63 23.91 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -48.18 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.655 2.237 . . . . 0.0 112.34 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -88.08 -170.38 2.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.963 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.1 m -147.85 154.91 41.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.92 -25.27 68.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.15 -60.31 4.78 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.47 161.45 2.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.513 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -58.93 118.73 6.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 110.835 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -75.18 -174.99 2.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.3 m -141.19 135.38 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 m -65.33 131.35 46.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.75 138.35 49.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -113.42 149.87 33.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -58.36 110.92 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.68 9.23 44.02 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -89.3 144.34 26.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.5 mt -96.16 113.74 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.185 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.8 mp -110.41 138.99 46.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 m -78.31 113.27 16.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.23 133.08 52.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.0 mt -119.78 -50.56 2.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -142.03 138.29 31.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 p -135.53 26.6 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 t -52.55 -32.2 39.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.095 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -101.89 148.14 25.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -93.06 16.33 13.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.56 -41.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -114.17 112.02 22.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -108.62 124.43 50.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -85.42 121.13 27.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.7 m -137.6 179.26 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -127.21 121.79 32.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.6 p -144.49 146.64 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 56.38 37.07 28.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.29 24.87 14.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -136.21 133.41 37.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -104.51 138.51 40.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.33 -176.09 39.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -107.6 125.91 51.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.899 0.38 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 m -123.44 156.29 64.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.723 . . . . 0.0 111.182 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 111.24 2.76 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.95 -25.14 42.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.16 -13.32 61.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -99.85 -22.54 15.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.5 m -115.39 -177.73 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.075 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.0 tttt -163.15 134.91 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -51.9 145.71 9.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.4 tp -131.45 110.75 11.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -137.59 133.03 33.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.2 m -112.4 -31.49 6.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.62 45.74 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.492 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 t -116.75 -24.83 7.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 111.118 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.08 -44.83 1.42 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.524 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 142.68 16.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -101.65 77.67 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -105.82 156.51 18.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.5 m -130.19 146.11 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.6 tp -114.1 142.59 46.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.85 144.99 40.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.0 mt -103.6 -40.89 6.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -119.06 160.85 21.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -83.84 132.46 34.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -150.72 138.76 20.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -127.35 128.35 45.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -51.96 132.2 32.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -163.83 116.14 1.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.2 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.92 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 ptt? . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.796 0.332 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.14 42.66 6.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.68 160.42 31.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.721 . . . . 0.0 111.11 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 167.71 23.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.343 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 139.75 41.14 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.728 2.285 . . . . 0.0 112.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.61 160.05 55.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.65 0.738 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 167.71 23.73 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.298 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -48.3 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.305 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -87.51 -170.35 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.6 m -151.66 141.78 22.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.72 -41.56 61.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.38 -54.95 0.78 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.37 159.02 11.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -56.82 132.44 52.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.805 0.336 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -84.85 -175.11 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.9 m -138.56 135.13 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.7 m -60.97 118.45 6.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -124.22 147.26 48.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.852 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -135.45 153.74 51.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 121.88 11.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.48 -5.21 58.6 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.526 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -82.27 143.85 31.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.1 mt -100.78 110.05 26.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mp -104.68 140.2 38.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.1 m -80.77 113.64 19.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.193 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.11 134.74 56.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.6 mt -123.21 -51.07 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -136.32 133.92 37.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.4 p -142.13 36.19 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.3 t -65.34 -24.59 67.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.168 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.06 -178.9 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -123.33 18.38 9.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -137.1 -41.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -114.06 113.61 24.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -112.85 130.75 55.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -91.25 122.59 34.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.931 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.9 m -139.23 176.92 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -125.04 123.25 39.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.9 p -144.53 146.71 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 55.8 37.42 28.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 t70 63.42 25.63 14.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -134.81 131.93 38.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -104.47 129.72 52.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -164.08 -176.64 36.12 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -102.7 141.64 35.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.379 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 m -141.09 156.34 68.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.616 0.722 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 111.78 2.91 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.691 2.261 . . . . 0.0 112.359 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.84 -28.59 57.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.34 -16.3 59.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -96.77 -23.15 16.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.5 m -112.12 -178.05 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -157.73 125.88 5.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -67.13 144.7 55.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -138.83 150.57 46.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -158.26 147.66 19.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.6 22.55 5.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.18 13.22 64.31 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.3 t -72.42 -24.13 61.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 111.163 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.57 -42.29 1.93 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.523 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -68.92 169.31 11.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.73 0.3 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -116.63 91.93 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -108.34 151.7 25.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.5 m -135.04 146.86 29.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.143 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 tt -119.31 142.11 48.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.94 139.98 40.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 76.8 mt -99.55 -42.22 7.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -111.52 167.66 10.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -91.4 129.4 37.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -144.08 144.31 31.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -114.36 160.27 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -72.05 139.78 48.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -119.43 46.97 1.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.924 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.805 0.336 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.12 48.47 5.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.49 160.43 33.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 167.71 23.61 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 156.69 62.57 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.664 2.242 . . . . 0.0 112.374 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mt -79.32 159.2 73.03 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.625 0.726 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 167.65 23.75 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.674 2.249 . . . . 0.0 112.378 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -48.32 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -87.57 -170.01 2.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m -152.53 147.6 26.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.7 -69.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 110.86 72.6 0.68 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.98 -144.04 6.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.492 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -105.08 137.42 42.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.778 0.323 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -104.48 -178.72 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.0 m -138.63 129.92 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.5 m -52.49 130.18 30.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.8 ptm -134.78 129.29 34.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -120.47 148.74 43.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.87 130.77 29.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.13 -7.94 72.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.476 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.65 130.92 35.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.321 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.7 mt -94.96 103.11 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.8 mp -94.31 142.84 26.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 m -77.28 111.65 13.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.45 135.13 56.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.7 mt -124.38 -54.95 1.67 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -128.06 132.52 49.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.1 p -132.51 39.35 3.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.4 p -69.07 -60.23 2.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -74.07 150.42 40.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -94.27 17.95 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -135.06 -41.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -114.02 118.67 34.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.8 m0 -115.12 141.2 48.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -97.67 119.83 36.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 34.7 m -136.18 175.48 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -123.2 122.5 38.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.1 p -141.4 147.06 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.08 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 57.17 40.86 27.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 60.75 21.53 11.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -128.98 161.8 29.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -121.94 136.63 54.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.17 -176.93 39.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -112.31 142.16 45.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -138.72 156.56 72.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 113.27 3.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.95 -23.67 47.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.66 -12.0 60.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -101.97 -25.09 13.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.5 m -113.35 -178.21 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -162.93 136.88 6.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -52.22 144.57 12.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.8 tp -128.78 90.57 3.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -128.07 126.31 40.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.2 m -121.71 27.43 8.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.57 -13.84 57.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.7 t -51.61 -30.15 20.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.884 0.373 . . . . 0.0 111.172 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.43 -44.53 1.75 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -51.9 163.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.744 0.307 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -110.47 86.94 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.28 149.98 47.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.6 m -127.96 145.36 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 tt -112.65 138.42 49.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.52 142.12 41.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.3 mt -100.0 -46.11 5.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -110.2 164.51 12.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -91.83 119.87 32.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -124.42 146.46 48.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -125.5 155.04 41.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -61.38 111.04 1.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -102.71 42.73 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.869 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 ptt? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.814 0.34 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.29 43.72 9.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.5 160.47 29.49 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.709 . . . . 0.0 111.112 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 167.67 23.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 144.33 53.55 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.657 2.238 . . . . 0.0 112.325 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.45 159.24 61.19 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.624 0.726 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 167.59 24.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.23 . . . . 0.0 112.386 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -48.16 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.247 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -88.4 -170.06 2.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.4 t -148.6 150.18 32.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.84 -178.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.53 72.83 0.42 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.532 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.7 167.81 19.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 ptt-85 -53.87 158.36 2.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -112.55 -173.34 2.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.2 m -143.87 131.71 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 m -59.62 126.01 25.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.3 135.36 48.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -123.13 142.86 50.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -51.79 121.08 5.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.65 -10.27 32.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.471 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -89.88 139.33 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.321 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.2 mt -96.71 102.98 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 mp -88.76 140.8 29.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 m -76.01 108.27 8.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.04 133.41 55.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.0 mt -123.2 -57.91 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.992 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -125.88 130.8 52.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 p -142.1 40.15 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.0 t -72.62 -25.4 61.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -99.83 179.94 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -123.79 25.52 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -141.61 -46.36 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -114.0 115.66 27.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -112.54 132.81 54.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -91.37 118.35 30.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.8 m -136.34 174.42 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -123.15 115.92 22.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -137.53 146.83 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 56.33 41.14 29.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 59.89 23.4 12.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.92 143.05 50.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -112.36 131.14 55.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.6 -177.92 41.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.527 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -98.66 156.31 16.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.39 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.5 m -153.92 155.91 31.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.641 0.734 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 111.7 2.88 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.695 2.264 . . . . 0.0 112.347 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.86 -24.21 49.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.43 -12.23 60.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -100.87 -24.26 14.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.1 m -111.54 179.89 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.91 134.12 6.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -53.54 146.92 11.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.8 tt -130.9 90.18 2.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -141.75 116.6 9.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.1 m -100.94 26.35 7.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.42 30.8 8.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.6 p -93.9 -28.33 15.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 0.0 111.165 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.26 -43.75 1.63 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -52.05 156.36 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.68 0.276 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -110.7 80.22 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -120.51 147.55 45.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.8 m -130.04 141.7 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 tt -110.28 139.39 45.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.51 138.38 41.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.9 mt -96.62 -39.89 9.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -114.85 179.14 4.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -101.46 129.6 47.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -144.4 149.47 36.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -121.92 160.5 24.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -68.19 125.15 25.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -102.46 85.48 2.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.929 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.816 0.341 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.52 45.73 13.29 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.446 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.14 160.45 30.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 111.054 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 167.57 24.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 146.53 60.44 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mt -73.44 159.19 85.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.601 0.715 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 167.52 24.25 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.708 2.272 . . . . 0.0 112.288 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -48.16 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -88.78 -169.96 2.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.6 t -145.22 154.0 41.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.61 -59.82 3.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.75 -79.79 0.37 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.524 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.26 172.12 0.35 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -53.91 134.18 42.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.749 0.309 . . . . 0.0 110.862 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -89.93 -173.27 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.3 m -144.0 135.84 22.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.8 m -66.23 144.88 56.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.7 ptm -148.74 148.28 29.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -142.17 154.42 44.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 122.96 8.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.27 2.97 58.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.447 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -96.99 129.63 44.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.748 0.308 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 69.7 mt -90.82 135.71 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 mp -129.95 133.31 46.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.6 m -72.46 112.4 8.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.73 129.15 38.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.97 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.5 mt -117.15 -50.94 2.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -138.7 135.98 35.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.1 p -138.01 25.68 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.9 p -59.54 -24.23 63.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.197 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -94.91 159.86 14.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -108.12 20.65 18.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -141.48 -44.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -114.03 121.88 45.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -113.09 128.87 56.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.951 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -86.58 113.94 22.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.7 m -130.07 175.16 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -120.86 118.86 31.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.5 p -140.71 147.11 23.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 58.68 38.65 25.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 62.39 19.3 11.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 mtp85 -128.47 163.58 24.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -123.02 136.16 54.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.75 -176.49 38.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -109.36 148.71 30.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.5 m -145.81 156.08 51.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.65 0.738 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 115.83 4.28 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.679 2.252 . . . . 0.0 112.305 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.2 -20.82 57.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.21 -8.88 57.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -105.85 -26.0 11.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.2 m -112.86 175.32 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.163 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -155.92 126.2 6.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -51.84 147.77 6.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 tp -127.97 107.56 9.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -153.16 112.94 3.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.5 26.58 9.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.806 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.16 33.93 3.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.1 p -89.69 -38.83 13.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 111.159 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.53 -32.18 6.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.24 179.37 6.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.734 0.302 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -127.84 76.44 1.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -114.45 149.83 35.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.3 m -122.33 159.82 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.8 tp -128.4 139.42 52.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.32 137.95 40.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.2 mt -97.92 -44.92 6.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -108.5 176.18 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -100.92 122.97 44.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -130.22 144.2 51.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -119.99 142.96 48.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -66.11 126.63 29.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.6 21.86 7.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 56.7 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.901 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 ptt? . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.819 0.342 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.05 46.57 4.72 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.51 160.41 36.81 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.578 0.704 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 167.53 24.19 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.34 56.62 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.645 2.23 . . . . 0.0 112.326 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.61 159.21 62.8 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.643 0.735 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 167.0 25.8 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.305 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -88.48 -170.01 2.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.4 p -159.22 145.61 16.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.65 -65.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.78 76.98 1.25 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.52 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.02 -172.12 39.78 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.519 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -56.28 143.8 32.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -125.75 -174.09 3.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.1 m -141.5 135.84 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 m -73.6 134.86 43.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -140.29 147.3 39.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -137.14 157.22 47.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -51.5 117.25 2.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.95 6.95 51.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.471 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -97.8 134.87 40.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.766 0.317 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.8 mm -91.76 136.97 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mp -135.75 129.28 32.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 83.9 m -71.56 119.59 15.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.68 130.94 43.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.6 mt -117.71 -52.43 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -139.8 139.84 36.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 p -137.41 35.05 2.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.8 p -60.45 -43.85 96.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.144 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -82.45 148.06 28.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -93.67 18.02 10.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -136.4 -41.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -114.15 125.79 54.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -116.48 128.54 55.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -85.54 115.37 23.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.4 m -132.9 -179.55 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -130.14 120.86 25.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 p -139.96 147.11 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 56.71 43.44 25.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 58.47 21.8 8.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -127.62 157.03 41.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.67 146.83 44.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.4 -167.5 38.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.517 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -122.46 145.62 48.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.3 m -139.56 156.13 71.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 111.138 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 117.52 5.13 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.343 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.96 -21.15 57.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.31 -9.71 58.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -106.07 -25.52 12.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 20.4 m -114.54 -178.7 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -163.11 136.11 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -52.05 149.84 4.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.8 tt -133.19 98.27 4.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -135.49 117.44 15.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.4 m -101.51 26.52 7.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.44 -18.99 55.89 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 t -51.79 -29.81 20.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.842 0.353 . . . . 0.0 111.195 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.18 -27.84 18.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -51.96 143.85 12.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.705 0.288 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -104.43 86.39 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.97 151.07 48.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.2 m -123.33 152.24 28.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.6 tp -119.98 146.98 45.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.12 136.76 36.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 48.0 mt -96.8 -43.54 7.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -110.43 -171.84 1.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -110.89 122.36 47.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -128.01 144.46 51.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -115.24 145.44 42.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -65.21 147.26 53.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.66 33.48 2.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.882 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.2 mtm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.779 0.323 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.48 44.5 41.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.5 160.48 39.11 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 167.71 23.66 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.248 . . . . 0.0 112.329 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 139.53 40.5 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.355 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.03 160.67 54.44 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.636 0.731 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 167.74 23.59 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.731 2.288 . . . . 0.0 112.337 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -47.99 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.638 2.225 . . . . 0.0 112.334 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -87.62 -170.62 3.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.8 p -147.33 139.15 24.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.48 -30.52 30.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.39 -57.98 4.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.496 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.57 158.88 3.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.515 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -54.35 115.15 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.822 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -73.95 -176.29 2.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.6 m -140.28 135.06 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 m -62.33 132.41 52.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.2 ptm -130.45 111.78 12.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.15 146.1 24.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 116.19 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.19 12.41 54.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -90.04 137.44 32.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.761 0.315 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.6 mt -94.22 103.05 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 mp -97.67 132.42 43.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.9 m -71.3 109.57 5.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.08 123.56 18.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.5 mt -108.88 -49.25 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -145.83 135.35 23.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 p -127.6 23.85 6.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 t -51.73 -31.8 27.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -92.97 174.49 7.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -114.24 -20.35 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -107.01 -35.75 6.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -113.96 120.03 39.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.8 m0 -117.57 132.7 56.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.54 119.93 29.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.7 m -139.74 173.14 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -123.55 120.66 33.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 p -143.63 146.67 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 54.83 44.01 29.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.6 t70 56.8 24.71 9.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -136.73 130.42 31.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -104.44 138.73 40.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.67 -175.06 41.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -99.13 144.45 28.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -143.11 156.52 61.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 108.88 2.18 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.634 2.223 . . . . 0.0 112.376 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.52 -24.32 45.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.04 -11.75 61.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -100.05 -23.14 14.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.3 m -116.25 -179.23 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -160.59 138.14 9.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.1 mtmm -57.28 145.41 32.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 tt -118.4 97.46 5.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -135.07 115.07 13.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 t -118.16 -30.2 5.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.31 38.75 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.7 t -115.21 -33.31 5.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.846 0.355 . . . . 0.0 111.167 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.86 -26.75 15.03 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -52.2 167.06 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.732 0.301 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -115.93 75.0 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -123.98 149.84 45.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.8 m -127.71 141.47 46.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.3 tp -105.82 141.71 36.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.06 137.55 41.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 43.6 mt -98.52 -40.59 8.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -115.78 170.72 8.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -94.81 121.3 36.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -148.46 148.42 30.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -122.24 158.87 28.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.42 129.02 38.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -107.06 79.65 1.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.913 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 ttp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.805 0.336 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.63 38.43 20.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.64 160.39 47.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.589 0.709 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 167.75 23.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 139.54 40.37 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.633 2.222 . . . . 0.0 112.353 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.87 159.49 78.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 167.73 23.57 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.34 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -48.17 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.7 2.267 . . . . 0.0 112.33 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -87.65 -169.96 2.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.9 t -146.65 168.24 21.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.27 -40.41 67.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.09 -66.92 0.34 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.51 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.04 169.38 1.31 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -55.63 156.28 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -116.45 176.19 5.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.8 m -138.99 133.43 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 m -61.64 140.32 58.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -143.68 136.46 27.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -121.24 144.54 48.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 126.14 17.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.6 -14.6 46.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.483 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -87.32 135.68 33.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.2 mt -94.98 104.16 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mt -88.81 141.8 28.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 m -74.28 109.84 8.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.02 118.54 8.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.1 mt -101.19 -51.65 3.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -148.94 140.14 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -129.87 33.03 4.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.9 p -51.51 -43.52 62.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.171 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.23 -179.25 7.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -113.29 -23.05 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -113.41 -23.46 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -114.0 112.04 22.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -116.34 131.26 56.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -91.78 120.45 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 34.9 m -135.12 177.96 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -122.52 121.31 36.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.0 p -144.5 146.71 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 56.41 40.78 29.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.29 23.05 11.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -135.14 137.15 42.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.46 ' H ' ' NE2' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -104.3 138.64 40.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -172.63 -176.41 41.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.497 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -100.47 151.74 21.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -151.24 156.49 35.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.585 0.707 . . . . 0.0 111.12 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 108.38 2.06 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.626 2.217 . . . . 0.0 112.386 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.86 -30.53 58.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.9 -17.72 57.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.072 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -93.55 -22.1 19.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.9 m -116.02 -173.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -161.7 129.07 4.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -68.07 132.65 47.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -137.44 177.76 7.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -148.39 164.76 33.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 p -112.28 -26.13 8.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 124.99 31.99 0.83 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 t -120.73 -32.28 4.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 111.131 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.88 -19.4 8.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.51 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -53.59 171.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.738 0.304 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -120.97 80.98 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -108.49 153.25 23.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.9 m -131.81 136.81 56.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 tt -107.75 142.35 37.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.17 142.77 41.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.1 mt -103.71 -37.9 7.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -115.43 -174.75 2.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -106.38 125.29 50.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -140.85 150.76 43.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -140.72 147.02 38.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -54.53 119.09 4.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -92.78 77.41 4.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 -179.885 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ttt . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.882 0.373 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.35 46.21 7.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.71 160.41 32.77 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.568 0.699 . . . . 0.0 111.096 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 167.73 23.61 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.636 2.224 . . . . 0.0 112.369 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 145.6 57.35 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.636 2.224 . . . . 0.0 112.364 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.34 159.84 81.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 167.65 23.86 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.736 2.29 . . . . 0.0 112.325 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.32 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.641 2.228 . . . . 0.0 112.34 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -87.35 -172.05 3.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 m -146.74 141.32 26.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.96 -36.53 49.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.36 -52.06 1.59 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.6 167.04 5.45 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.87 121.74 16.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 0.0 110.885 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -73.13 -179.59 3.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.1 m -141.47 133.71 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.6 m -54.8 126.51 24.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.6 ptm -134.12 129.19 35.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -122.96 147.86 46.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.06 130.55 30.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.08 -5.13 78.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.49 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -84.68 142.85 29.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.783 0.325 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 63.2 mt -98.89 113.27 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mp -106.97 133.0 52.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 m -70.95 104.81 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.97 132.65 54.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.3 mt -124.23 -59.26 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -118.12 133.71 55.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.2 p -138.01 24.45 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.4 p -62.42 -36.69 83.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.179 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -85.6 178.35 7.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -120.31 -8.01 9.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -118.07 -37.63 3.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -114.02 118.38 33.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -116.98 143.21 45.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -98.7 122.67 42.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.1 m -139.85 171.99 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -122.24 114.6 21.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.8 p -137.09 146.77 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 55.74 42.98 28.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.2 t70 57.69 23.44 9.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.5 mmt-85 -134.88 131.73 37.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.34 138.67 40.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.89 -174.29 40.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -98.17 153.4 18.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.841 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -154.36 156.53 31.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.658 0.742 . . . . 0.0 111.103 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 108.09 2.0 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.7 2.266 . . . . 0.0 112.327 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.83 -25.4 41.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.08 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.73 -17.56 64.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -93.2 -25.47 17.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.2 m -112.84 -176.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -162.29 133.2 4.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.49 144.03 54.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 mp -134.55 174.46 10.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -158.35 148.81 20.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.22 26.16 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.66 -27.75 11.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.526 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 t -51.79 -31.78 28.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 111.119 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.16 -19.71 47.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -55.59 176.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.33 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -114.15 74.14 0.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -104.59 144.85 31.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.4 m -130.42 141.79 45.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 tp -113.25 148.79 34.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.36 144.45 34.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.5 mt -102.92 -45.28 5.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -110.83 -178.68 3.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -103.72 129.36 51.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -144.63 148.65 34.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -125.35 157.98 35.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -87.87 128.31 35.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.03 48.77 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.4 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.867 -179.912 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 mmm . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.798 0.332 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.68 45.18 7.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.41 160.4 33.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.595 0.712 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 167.7 23.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.353 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 146.06 58.93 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mt -77.12 159.11 78.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.581 0.705 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 167.59 23.98 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.722 2.281 . . . . 0.0 112.343 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -48.2 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.645 2.23 . . . . 0.0 112.357 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -88.33 -170.01 2.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 m -150.74 151.88 33.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.77 -178.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.7 -78.44 1.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.19 161.73 2.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.93 160.73 1.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.774 0.321 . . . . 0.0 110.882 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -98.42 -177.69 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.8 m -135.77 135.33 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 m -65.25 125.58 25.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.7 ptm -127.07 136.05 51.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -125.55 147.27 49.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -51.77 112.36 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.17 6.84 33.64 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.469 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.99 138.94 33.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.8 mp -98.99 117.36 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 mp -109.57 142.55 40.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.0 m -79.92 109.31 14.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.09 133.61 56.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mt -124.07 -54.1 1.72 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -128.9 131.55 47.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.7 p -133.23 39.72 3.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.7 p -68.25 -58.21 4.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -80.19 152.07 29.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -95.55 24.21 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -138.44 -43.45 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -113.95 110.09 19.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -108.2 138.9 43.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -96.89 122.06 39.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.9 m -140.01 172.99 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -124.06 115.18 20.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 p -138.14 146.72 26.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 55.51 42.62 29.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 58.06 24.04 10.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -136.14 131.74 35.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -104.43 138.8 40.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.95 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.75 -175.32 38.72 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -107.53 125.55 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 m -122.46 156.69 60.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.633 0.73 . . . . 0.0 111.145 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 114.35 3.68 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.8 -20.14 54.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.48 -7.76 53.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -105.19 -24.88 12.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.0 m -114.31 -175.74 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.12 132.62 4.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -51.85 149.51 4.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 tt -137.49 93.48 2.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -127.0 156.43 41.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.7 m -119.32 -36.13 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 132.45 42.09 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.0 t -115.58 -30.74 6.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 111.113 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.94 -42.29 1.39 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.07 144.13 12.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 0.0 110.853 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -116.52 97.41 5.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -131.68 151.47 51.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.8 m -126.09 152.75 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.3 tp -117.21 144.37 44.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.09 136.03 35.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.0 mt -96.54 -49.1 5.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -108.16 168.7 9.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -95.15 122.42 37.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -131.72 149.52 52.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -115.67 160.68 19.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -76.8 92.89 3.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.61 46.12 27.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.891 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.791 0.329 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.0 42.23 11.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.4 160.35 33.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.546 0.689 . . . . 0.0 111.118 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 167.74 23.52 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 139.86 41.26 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.653 2.235 . . . . 0.0 112.353 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mt -64.66 159.6 60.06 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.674 0.75 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 167.8 23.41 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.64 2.226 . . . . 0.0 112.385 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -42.08 3.65 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -86.46 -174.87 5.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.6 p -150.48 127.68 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.88 130.14 28.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.92 -34.33 89.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.9 156.5 53.44 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.51 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -58.72 160.68 5.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.748 0.308 . . . . 0.0 110.892 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -102.61 177.64 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.9 m -144.5 133.18 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 m -60.76 118.34 6.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.4 ptm -120.6 140.94 50.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -127.5 143.58 51.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 130.41 29.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.02 -6.99 73.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.528 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.49 138.02 31.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.778 0.323 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.0 mt -98.31 109.45 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.151 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mp -95.92 141.17 29.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 m -73.88 104.92 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.49 135.09 57.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.4 mt -127.59 -56.32 1.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -120.98 129.93 53.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -137.77 34.44 2.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.3 t -73.6 -35.45 65.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.16 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -86.26 169.56 12.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -114.56 12.24 17.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.57 -43.55 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -113.74 120.69 41.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -116.38 141.42 48.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.67 121.57 38.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.6 m -139.12 176.13 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -123.35 118.43 27.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -144.61 146.77 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 59.0 38.47 24.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 62.0 17.51 9.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -135.89 137.81 41.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.58 154.63 20.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 174.5 -175.7 46.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -99.2 144.42 28.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 m -145.25 156.92 53.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.667 0.746 . . . . 0.0 111.111 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 110.42 2.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.76 -30.29 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.87 -16.74 59.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -93.2 -21.9 19.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 20.1 m -115.09 -174.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -162.49 131.43 4.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.24 142.91 15.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.5 tp -117.81 97.18 5.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -127.86 96.48 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.3 m -103.54 26.74 8.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.91 44.87 3.5 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.524 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.3 t -115.57 -32.55 5.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.831 0.348 . . . . 0.0 111.137 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.64 -26.07 17.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -59.78 178.13 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.751 0.31 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -121.72 69.93 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -117.01 146.21 43.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.5 m -128.12 146.06 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 tt -110.61 139.32 45.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.03 140.78 39.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.2 mt -100.73 -44.66 5.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -112.46 154.77 25.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -81.51 127.82 33.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -140.23 145.69 37.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -114.83 158.34 22.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.25 137.43 58.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -150.92 106.7 3.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.2 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.888 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ptt? . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.869 0.366 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.16 66.71 1.59 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -102.26 160.34 26.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.701 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 167.68 23.72 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 144.14 53.42 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.273 . . . . 0.0 112.385 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.5 159.16 62.3 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.651 0.739 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 167.69 23.69 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -47.76 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.649 2.233 . . . . 0.0 112.38 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -87.37 -170.15 2.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.5 p -151.8 145.67 25.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.19 -169.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.17 87.49 0.18 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.1 -137.91 4.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -114.16 148.1 37.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -100.57 -175.79 3.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.2 m -145.28 130.07 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -61.07 119.16 7.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.58 147.97 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -121.14 144.07 48.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -56.98 107.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.33 14.03 29.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -93.03 144.09 25.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.77 0.319 . . . . 0.0 110.854 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 64.3 mt -92.99 110.34 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mp -106.3 139.71 40.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.2 m -75.54 105.71 6.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.61 132.07 52.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.0 mt -123.79 -56.15 1.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -122.83 131.29 53.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.1 p -138.21 31.4 2.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.0 p -69.82 -39.54 76.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -83.46 168.77 16.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -114.53 14.64 17.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.49 -44.43 0.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -114.05 119.65 37.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -113.81 140.2 48.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -95.92 120.92 37.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.1 m -139.99 170.66 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -119.67 119.93 35.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -143.02 146.73 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 55.61 42.98 28.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 57.57 23.64 9.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -135.66 132.71 37.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.34 138.65 40.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.58 -170.47 35.65 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -108.79 143.61 37.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.14 156.42 64.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.593 0.711 . . . . 0.0 111.179 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 111.66 2.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.302 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.82 -27.45 60.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.94 -15.11 61.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.053 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -97.91 -22.28 16.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.963 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.3 m -114.16 -175.68 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.6 tptt -161.07 125.23 3.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -51.89 150.12 4.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 tp -135.53 95.96 3.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -137.4 137.22 38.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.7 m -104.81 -32.55 8.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.39 53.23 0.11 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.3 t -119.87 -34.47 3.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 111.189 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.87 -59.51 0.51 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -52.58 141.34 20.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.783 0.325 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -111.12 85.23 2.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.97 153.53 23.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.9 m -127.96 148.02 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.6 tp -117.07 135.82 53.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.23 153.15 40.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.5 mt -108.73 -46.69 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -119.62 147.06 44.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -66.03 139.19 58.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -159.08 149.14 19.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -138.71 160.67 39.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -52.05 144.85 11.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -118.74 39.56 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.903 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpt . . . . . 0 N--CA 1.458 -0.043 0 CA-C-O 120.8 0.333 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.54 44.7 4.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.86 160.38 46.92 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.609 0.719 . . . . 0.0 111.082 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 167.64 23.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 0.0 112.395 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 145.77 58.24 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.751 2.301 . . . . 0.0 112.319 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mt -65.76 159.16 71.01 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.635 0.731 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 167.73 23.6 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -48.05 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.73 2.287 . . . . 0.0 112.339 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -87.08 -173.34 4.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.1 t -146.09 152.75 39.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.43 -69.21 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.17 62.76 0.46 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.64 -147.79 7.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -98.45 135.25 40.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.774 0.321 . . . . 0.0 110.915 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -95.92 -173.48 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.1 m -145.6 129.9 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.6 m -58.49 129.06 40.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.9 ptm -131.95 136.05 47.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -114.22 141.12 47.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -55.0 110.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.4 7.19 32.71 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.496 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -93.09 136.29 33.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.343 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.6 mt -88.56 106.62 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 mt -100.01 134.05 43.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 m -67.21 107.38 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.62 131.52 48.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.7 mt -119.62 -56.9 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.39 135.97 50.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.5 m -140.0 37.72 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.4 t -76.91 -35.71 57.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -80.03 165.64 22.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -114.36 27.64 9.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -152.17 -45.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -114.03 115.85 28.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -108.54 143.45 37.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -96.07 116.14 28.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.0 m -132.71 175.57 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -125.15 115.4 20.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -131.83 146.75 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 55.76 41.33 30.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 59.27 24.35 12.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -130.79 144.69 51.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.46 138.27 41.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -174.05 -174.8 41.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -109.34 156.53 19.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 m -154.52 156.57 31.72 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.628 0.728 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 109.89 2.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.17 -28.57 53.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.67 -16.02 59.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.073 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -96.53 -26.19 15.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.3 m -111.42 -174.0 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -162.64 133.53 4.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -66.36 148.65 51.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 mp -152.72 175.4 12.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -147.23 152.84 39.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -110.22 20.91 17.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.13 18.79 58.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.449 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 t -113.65 -31.25 6.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.804 0.335 . . . . 0.0 111.124 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.34 -14.94 54.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.74 156.36 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -89.22 78.42 7.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -114.84 143.67 44.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.7 m -131.75 141.42 45.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 tp -112.96 138.92 49.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.61 149.63 43.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.4 mt -106.84 -44.54 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -113.23 173.49 6.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -93.86 133.87 36.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -154.75 135.59 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -123.09 146.59 47.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -52.81 121.64 7.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -98.26 26.98 4.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.7 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.907 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 mtt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.813 0.339 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.43 51.65 25.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.07 160.44 33.59 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.579 0.704 . . . . 0.0 111.096 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 167.69 23.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.49 40.34 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mp -66.51 160.43 66.85 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.721 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 167.76 23.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -44.8 1.85 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.717 2.278 . . . . 0.0 112.362 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -85.59 -170.1 2.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 m -154.1 140.79 19.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.52 -179.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.188 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.8 83.14 0.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 168.94 -154.67 24.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -102.44 128.61 48.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.83 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -81.5 -177.63 6.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.3 m -139.31 131.31 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 36.2 m -60.08 123.53 17.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.3 ptm -123.72 129.06 50.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -107.18 134.27 50.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -53.38 114.11 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.62 0.61 30.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.53 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -99.37 140.24 33.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.2 mt -89.71 130.84 38.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mt -116.79 136.86 52.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 m -70.41 104.08 2.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.13 132.29 53.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 mt -121.82 -57.78 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -126.87 132.52 50.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 p -141.42 26.06 1.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.9 t -63.14 -27.53 69.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.191 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -97.81 175.95 5.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.7 pttm -123.71 25.91 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.17 -60.98 0.94 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -113.93 112.66 23.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -98.54 137.03 37.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -91.2 116.81 29.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.5 m -134.85 174.91 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.086 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -121.72 115.63 23.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 p -134.4 146.74 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.194 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 55.92 41.98 29.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 58.2 23.69 10.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -131.16 145.66 52.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.53 138.27 41.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -172.97 -166.22 31.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -121.96 159.16 27.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.921 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 m -154.58 156.81 31.92 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.602 0.715 . . . . 0.0 111.139 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 115.68 4.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.244 . . . . 0.0 112.337 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.06 -22.89 42.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.2 -11.38 60.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -104.97 -25.92 12.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.964 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.0 m -111.1 179.58 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.177 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.8 tttt -163.2 131.41 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.1 151.1 7.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.2 tp -132.94 104.59 6.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -158.3 150.41 21.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 t -115.66 -28.94 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 145.11 47.98 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.1 t -110.77 -24.73 10.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 0.0 111.166 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.5 -39.45 2.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -52.39 144.85 12.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.789 0.328 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -108.89 77.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -115.47 142.54 46.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.1 m -125.55 156.13 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 tt -125.09 158.39 33.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.21 139.31 30.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 41.9 mt -97.88 -47.42 5.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -108.87 -177.54 3.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.957 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -102.79 132.56 48.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -152.85 143.92 23.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -137.63 150.02 47.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -55.23 133.88 49.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -114.22 59.16 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.867 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.49 55.72 14.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.51 160.45 34.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 167.68 23.81 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 2.283 . . . . 0.0 112.32 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 139.35 39.98 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.661 2.241 . . . . 0.0 112.389 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mt -65.88 159.47 69.46 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.582 0.706 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 167.74 23.52 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -47.63 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.361 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -87.38 -170.11 2.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -149.46 139.41 21.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.2 129.47 42.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.082 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.23 -38.53 68.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.0 158.98 46.97 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.44 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.52 159.19 25.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 110.902 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -97.44 178.77 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.2 m -139.17 134.0 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.7 m -54.21 115.33 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.9 ptm -112.76 115.07 27.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -89.85 145.13 25.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -58.73 110.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.49 12.2 42.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -89.09 145.09 25.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 63.4 mt -93.17 108.07 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mp -103.14 138.56 39.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.9 m -79.62 109.85 14.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.67 134.74 56.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.7 mt -125.86 -48.33 1.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.969 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -134.37 132.87 39.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.5 p -140.3 28.2 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -59.86 -27.79 66.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.152 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -98.94 -175.98 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -125.09 -0.82 7.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -118.85 -41.2 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -113.98 117.81 32.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -116.7 136.17 53.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.16 122.23 37.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.958 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.8 m -139.96 176.26 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -125.68 117.19 22.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.6 p -137.65 146.69 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 56.46 41.74 28.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 59.07 22.59 10.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -131.03 134.64 46.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.42 138.58 40.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.56 -170.72 38.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -107.0 154.44 21.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.906 0.384 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 m -153.63 156.48 32.3 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.626 0.727 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 110.96 2.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.351 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.94 -24.7 59.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.107 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.6 -12.06 60.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -99.95 -19.38 16.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.1 m -120.55 -178.01 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.163 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -162.87 139.46 7.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -53.07 149.69 6.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.7 tp -135.23 91.6 2.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -113.68 110.38 20.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 m -103.36 -29.8 10.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 134.83 37.88 0.2 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.0 t -91.2 -24.56 19.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 111.111 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.62 -42.78 1.84 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.533 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -84.25 172.17 12.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.759 0.314 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -110.34 103.73 12.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -124.12 157.88 33.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.8 m -127.72 148.77 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.5 tp -116.24 144.82 43.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.16 141.74 41.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.6 mt -100.51 -46.34 5.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -117.64 149.31 40.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -71.63 129.39 38.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -155.02 146.34 22.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -134.32 148.08 50.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -52.19 137.59 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.4 tttm 56.25 48.14 17.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.2 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 -179.904 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 tpt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.69 42.49 11.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.61 160.5 36.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.71 . . . . 0.0 111.104 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 167.68 23.74 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 139.4 40.17 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.727 2.285 . . . . 0.0 112.367 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.37 159.67 71.04 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.626 0.727 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 167.71 23.71 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.293 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -48.2 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -87.99 -170.0 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.955 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 t -145.72 151.95 38.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.58 -35.27 60.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.48 -67.53 0.44 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.14 171.45 2.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.503 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.01 149.38 11.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.74 0.305 . . . . 0.0 110.857 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -102.8 174.76 5.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.2 m -138.31 132.07 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.6 m -62.14 134.38 56.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.93 136.51 28.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.61 152.56 47.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.36 122.66 10.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.29 -5.4 49.01 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.537 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -87.41 143.21 27.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.783 0.325 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mt -100.83 109.95 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.8 mp -103.75 134.95 46.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.9 m -72.16 111.73 7.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.99 128.34 35.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.7 mt -119.64 -51.2 2.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.53 139.22 49.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 p -151.16 36.54 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.6 t -66.42 -24.84 66.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -93.27 168.6 10.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -114.13 25.54 11.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -142.57 -47.73 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -113.96 126.62 55.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -116.54 131.3 56.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -86.55 114.63 23.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.8 m -138.41 176.12 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -128.48 120.56 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 p -137.18 146.49 27.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.0 m120 51.83 48.51 22.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 53.58 28.22 7.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -131.49 135.82 47.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -104.49 136.86 43.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.91 179.45 48.65 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.535 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -101.75 157.26 16.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.905 0.383 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.3 m -150.4 156.16 36.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.651 0.738 . . . . 0.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 114.98 3.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.06 -19.48 53.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.46 -6.57 49.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -107.31 -24.34 11.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.8 m -114.86 179.4 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -161.37 135.28 6.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.2 pttt -51.83 147.84 6.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 tp -132.3 113.5 13.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -142.86 131.8 22.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.0 t -117.92 -29.57 5.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.3 48.41 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.459 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 t -117.02 -29.61 5.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 111.153 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.48 -21.44 44.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 178.13 0.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -122.7 75.9 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -114.48 144.3 43.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.6 m -126.04 144.27 36.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 tp -111.68 148.02 34.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.03 144.94 36.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.1 mt -103.66 -39.43 6.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -116.17 -172.9 2.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -108.36 129.56 55.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -145.94 147.18 31.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -145.29 128.46 16.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -52.01 131.78 31.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -116.48 98.47 6.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.1 p . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.91 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.796 0.331 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.7 37.99 6.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.71 160.41 50.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.708 . . . . 0.0 111.121 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 167.77 23.49 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.62 48.4 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.316 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mt -69.41 159.51 83.17 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 167.79 23.47 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.27 . . . . 0.0 112.365 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -48.01 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.362 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -87.52 -170.19 2.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -149.94 146.63 27.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.815 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.81 -58.15 7.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.53 71.41 0.81 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.448 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.75 -149.05 11.96 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.495 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -103.9 151.84 22.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -118.13 -170.14 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.2 m -137.0 132.99 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 m -58.54 118.11 5.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.4 ptm -120.18 142.75 48.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -130.57 144.48 51.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.81 128.29 23.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.86 -3.75 67.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.49 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -86.31 145.13 27.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 60.9 mt -101.33 112.48 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 mp -104.31 133.69 48.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -70.61 108.68 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.86 127.27 32.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.4 mt -119.44 -54.92 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -121.7 130.96 53.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.5 p -139.96 33.69 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -69.76 -30.71 68.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.129 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.82 -179.99 6.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -123.67 -3.84 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -118.21 -45.67 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -113.87 122.88 48.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -116.97 144.87 44.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -98.02 118.79 35.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.4 m -139.91 175.3 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -126.5 111.96 15.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.1 p -128.85 146.74 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.6 m120 52.02 48.55 22.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 53.39 27.97 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -131.44 134.15 45.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -104.37 134.28 47.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.98 -174.8 44.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -103.58 155.86 18.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -154.36 156.84 32.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.711 . . . . 0.0 111.133 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 116.51 4.59 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.369 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.53 -23.61 67.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.01 -10.88 60.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.063 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -100.13 -18.37 16.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.0 m -122.09 -175.85 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -157.98 133.08 8.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -66.01 146.85 54.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -153.13 176.12 12.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -160.16 158.26 29.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -110.03 -31.84 7.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 150.54 -24.2 1.07 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.3 t -56.81 -26.14 57.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.826 0.346 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.62 -19.97 52.53 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.477 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -54.08 172.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.734 0.302 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -109.64 98.96 8.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.26 152.0 47.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.4 m -132.97 143.54 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 tp -108.58 150.92 26.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.34 142.46 30.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.066 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.2 mt -105.36 -45.45 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -115.46 160.56 19.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -85.72 128.74 34.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -140.11 145.99 38.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -105.58 160.56 15.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -87.73 133.95 33.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -164.16 125.05 2.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 54.4 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.866 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.034 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.04 47.71 17.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.67 160.49 32.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 111.086 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 167.78 23.51 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.627 2.218 . . . . 0.0 112.36 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.37 56.91 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mt -64.48 159.31 60.9 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.642 0.734 . . . . 0.0 110.94 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 167.73 23.55 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.32 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 -46.46 1.22 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -86.94 -170.19 2.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.2 t -151.98 132.77 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.859 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.74 131.84 30.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.14 -65.94 2.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.22 169.87 1.84 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.463 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -68.44 158.76 33.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -97.46 -179.01 4.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.3 m -144.43 134.28 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 m -58.03 137.78 56.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.6 ptm -132.93 137.8 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -115.56 137.29 52.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -53.14 114.16 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.25 6.88 44.37 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -95.1 133.38 38.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.781 0.324 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 72.0 mt -88.01 103.2 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 mt -92.55 139.79 30.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.947 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.9 m -73.7 107.92 6.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.66 124.89 23.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.2 mt -111.39 -47.73 3.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -145.94 134.54 22.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.5 m -131.17 26.5 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 t -51.44 -30.38 19.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -96.62 177.64 5.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -117.12 -14.64 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -109.39 -37.01 5.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -114.03 118.29 33.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -117.12 132.03 56.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -90.78 115.67 28.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.76 177.21 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.64 122.43 39.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.7 p -140.73 144.92 26.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 54.86 37.81 29.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.62 27.09 14.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.1 tpt85 -132.42 135.66 46.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -104.42 126.01 51.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -166.54 -172.22 33.58 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -104.36 156.33 18.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -154.18 156.57 31.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.623 0.725 . . . . 0.0 111.12 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 108.65 2.12 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.731 2.287 . . . . 0.0 112.342 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.14 -26.53 39.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.04 -19.28 65.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.091 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -92.23 -24.46 19.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 20.3 m -113.05 -174.53 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -163.11 124.56 2.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.88 144.33 11.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 tt -127.82 131.8 49.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -148.16 108.71 4.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 t -98.4 -31.11 12.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.833 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 140.5 52.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 t -113.12 -25.03 9.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 111.104 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.32 -34.69 5.57 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -70.14 -175.82 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.75 0.31 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -125.89 92.64 3.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.47 149.41 41.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.9 m -126.2 145.36 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.174 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.1 tp -114.78 137.07 52.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.965 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.43 151.27 41.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.7 mt -108.81 -43.39 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -112.85 177.33 4.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -103.32 127.53 50.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -144.77 145.43 31.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -136.4 119.63 16.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -58.69 140.03 55.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.33 43.07 17.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.863 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ttt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.31 47.12 8.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.73 160.43 38.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.601 0.715 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 167.7 23.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.635 2.224 . . . . 0.0 112.384 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.92 43.86 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.656 2.238 . . . . 0.0 112.351 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.5 160.58 50.61 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 167.66 23.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.244 . . . . 0.0 112.342 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.28 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.34 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -87.64 -170.09 2.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.0 t -145.49 157.63 43.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.33 179.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.05 65.42 0.29 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.53 -171.89 36.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.8 mtm-85 -77.44 139.88 39.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.789 0.328 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -88.18 -173.81 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.0 m -139.19 135.64 41.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m -59.62 137.66 57.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.9 ptm -139.86 125.51 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.54 146.38 31.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.02 110.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.99 16.41 33.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -91.43 152.03 20.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.0 mt -99.25 121.26 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 mp -121.61 136.19 54.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.6 m -80.45 114.13 19.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.11 131.14 45.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.5 mt -120.64 -48.41 2.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -143.45 138.55 29.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 m -131.65 35.62 3.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.0 p -60.08 -31.86 70.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -117.03 109.1 16.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -51.45 -28.24 12.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -74.91 -50.64 16.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -114.26 118.33 33.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.2 m0 -108.3 128.06 54.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -85.45 112.29 20.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.9 m -132.63 176.52 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.113 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -124.92 121.14 33.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.8 p -144.55 146.63 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 54.77 44.13 28.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 56.65 24.86 9.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -136.01 130.75 34.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.44 138.69 40.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -174.69 -174.63 41.56 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -103.01 142.48 34.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.91 0.386 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -140.02 156.43 70.39 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.649 0.738 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 111.12 2.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.231 . . . . 0.0 112.305 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.99 -23.85 49.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.82 -12.59 61.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -99.64 -22.55 15.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.2 m -119.26 -173.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -156.82 135.73 11.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -71.62 151.41 43.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.6 tp -119.41 133.04 55.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -51.7 164.1 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.4 -25.21 19.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -52.77 -26.58 25.78 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.4 t -73.57 -32.5 64.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 0.0 111.127 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.96 -79.05 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -126.3 -173.13 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.726 0.298 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.56 94.0 5.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.07 175.83 9.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.4 m -129.78 138.79 53.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.1 tp -106.28 138.32 42.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.26 154.25 33.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 60.6 mt -115.18 -42.62 3.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -111.34 170.78 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -95.68 125.4 40.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -152.73 148.47 27.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.93 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -126.97 160.28 31.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -69.46 144.47 53.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp 52.71 53.96 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.4 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.869 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 tmm? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.795 0.331 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.08 48.13 3.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.446 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.775 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -94.9 160.34 31.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.721 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.9 Cg_endo -69.77 167.48 24.35 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.262 . . . . 0.0 112.328 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 147.2 62.86 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.623 0.725 . . . . 0.0 110.935 179.928 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.852 0.358 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.559 HG13 ' HA3' ' A' ' 44' ' ' GLY . 26.1 m -137.95 130.97 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.1 m -62.12 137.44 58.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.431 ' HB3' HD21 ' A' ' 24' ' ' LEU . 7.3 ptm -132.01 147.29 52.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 30.1 mtmm -121.83 147.46 45.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.32 111.68 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.68 7.64 41.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -90.87 143.79 26.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.5 mt -98.76 108.11 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.451 HD22 HG21 ' A' ' 37' ' ' VAL . 5.1 mp -101.19 134.81 43.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.3 m -72.44 113.45 9.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.796 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -67.76 127.32 32.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.52 ' N ' HD13 ' A' ' 26' ' ' LEU . 95.8 mt -112.85 -52.94 2.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -141.29 139.08 33.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -131.29 27.32 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 43.7 p -51.72 -30.36 22.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -98.34 152.46 19.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -96.13 -0.88 49.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -119.81 -40.29 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -113.99 123.47 49.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.606 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.8 m0 -116.53 128.77 55.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -85.53 115.64 23.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.796 HG12 ' HA ' ' A' ' 26' ' ' LEU . 29.3 m -133.9 179.42 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -128.45 125.46 38.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.8 p -143.51 144.68 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 m120 54.74 38.02 29.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 63.46 27.2 15.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -132.35 136.19 46.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -104.41 135.93 44.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.559 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -170.38 -173.69 37.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -116.85 126.89 53.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -122.85 156.49 62.03 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.623 0.725 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 112.59 3.11 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.55 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -56.03 -27.95 55.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.79 -15.9 59.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.65 -20.99 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.552 HG12 ' HA ' ' A' ' 65' ' ' ALA . 24.6 m -116.24 -174.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.161 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.717 ' HB2' HD11 ' A' ' 66' ' ' LEU . 29.9 ttpt -162.39 125.78 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.564 ' HA ' HG12 ' A' ' 63' ' ' VAL . 26.9 pttt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.878 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.901 0.382 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.717 HG11 HD23 ' A' ' 26' ' ' LEU . 16.3 m -127.77 142.57 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 tt -106.5 140.43 39.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.552 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -78.69 143.94 35.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' A' ' 52' ' ' LYS . 42.5 mt -104.5 -40.76 5.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.775 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 16.0 m-85 -123.72 144.26 49.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -71.12 135.91 47.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.4 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.805 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.765 0.317 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.67 41.73 9.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.781 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -90.89 160.38 38.23 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.61 0.719 . . . . 0.0 111.108 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.4 Cg_endo -69.75 167.68 23.73 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 139.48 40.34 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.261 . . . . 0.0 112.347 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 121.611 0.72 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.435 HG11 ' O ' ' A' ' 42' ' ' ARG . 6.3 m -141.19 135.38 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 m -65.33 131.35 46.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.627 ' HE1' HG13 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -130.75 138.35 49.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.56 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 40.7 tptt -113.42 149.87 33.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -58.36 110.92 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.68 9.23 44.02 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -89.3 144.34 26.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.5 mt -96.16 113.74 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.185 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.481 HD22 HG21 ' A' ' 37' ' ' VAL . 4.8 mp -110.41 138.99 46.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 m -78.31 113.27 16.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.791 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -64.23 133.08 52.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.551 ' N ' HD13 ' A' ' 26' ' ' LEU . 92.0 mt -119.78 -50.56 2.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -142.03 138.29 31.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 p -135.53 26.6 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 t -52.55 -32.2 39.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.095 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -101.89 148.14 25.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -93.06 16.33 13.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.56 -41.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -114.17 112.02 22.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.579 ' CE3' HD21 ' A' ' 26' ' ' LEU . 6.5 m0 -108.62 124.43 50.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -85.42 121.13 27.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.791 HG12 ' HA ' ' A' ' 26' ' ' LEU . 23.7 m -137.6 179.26 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -127.21 121.79 32.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.6 p -144.49 146.64 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 56.38 37.07 28.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.29 24.87 14.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.435 ' O ' HG11 ' A' ' 16' ' ' VAL . 11.5 tpt180 -136.21 133.41 37.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -104.51 138.51 40.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.406 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -169.33 -176.09 39.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.473 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -107.6 125.91 51.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.899 0.38 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 m -123.44 156.29 64.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.723 . . . . 0.0 111.182 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 111.24 2.76 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.483 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -55.95 -25.14 42.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.16 -13.32 61.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -99.85 -22.54 15.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.627 HG13 ' HE1' ' A' ' 18' ' ' MET . 22.5 m -115.39 -177.73 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.075 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.777 ' HB2' HD11 ' A' ' 66' ' ' LEU . 45.0 tttt -163.15 134.91 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.6 ' HA ' HG12 ' A' ' 63' ' ' VAL . 53.9 mtmt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.804 0.335 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.611 HG11 HD23 ' A' ' 26' ' ' LEU . 18.5 m -130.19 146.11 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.6 tp -114.1 142.59 46.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 19' ' ' LYS . . . -75.85 144.99 40.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.777 HD11 ' HB2' ' A' ' 52' ' ' LYS . 33.0 mt -103.6 -40.89 6.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.781 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 34.1 m-85 -119.06 160.85 21.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -83.84 132.46 34.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 55.2 t80 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.849 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 ptt? . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.796 0.332 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.14 42.66 6.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.686 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . . . -94.68 160.42 31.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.721 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.1 Cg_endo -69.76 167.71 23.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.343 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 139.75 41.14 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.728 2.285 . . . . 0.0 112.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.65 0.738 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.925 0.393 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.427 HG13 ' HA3' ' A' ' 44' ' ' GLY . 14.9 m -138.56 135.13 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.7 m -60.97 118.45 6.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -124.22 147.26 48.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.852 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.57 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 21.4 ptmt -135.45 153.74 51.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 121.88 11.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.5 ' HA2' HD11 ' A' ' 64' ' ' LEU . . . 99.48 -5.21 58.6 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.526 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -82.27 143.85 31.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.1 mt -100.78 110.05 26.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.474 HD22 HG21 ' A' ' 37' ' ' VAL . 4.5 mp -104.68 140.2 38.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.1 m -80.77 113.64 19.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.193 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.804 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -63.11 134.74 56.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.578 ' N ' HD13 ' A' ' 26' ' ' LEU . 91.6 mt -123.21 -51.07 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -136.32 133.92 37.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.4 p -142.13 36.19 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.3 t -65.34 -24.59 67.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.168 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.06 -178.9 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -123.33 18.38 9.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -137.1 -41.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -114.06 113.61 24.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.523 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.4 m0 -112.85 130.75 55.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -91.25 122.59 34.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.931 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.804 HG12 ' HA ' ' A' ' 26' ' ' LEU . 22.9 m -139.23 176.92 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -125.04 123.25 39.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.9 p -144.53 146.71 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 55.8 37.42 28.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 t70 63.42 25.63 14.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.41 ' O ' HG11 ' A' ' 16' ' ' VAL . 11.4 tpt180 -134.81 131.93 38.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.47 129.72 52.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.427 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -164.08 -176.64 36.12 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -102.7 141.64 35.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.379 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 m -141.09 156.34 68.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.616 0.722 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 111.78 2.91 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.691 2.261 . . . . 0.0 112.359 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.584 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -55.84 -28.59 57.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.34 -16.3 59.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -96.77 -23.15 16.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.584 HG22 ' HA ' ' A' ' 48' ' ' ALA . 21.5 m -112.12 -178.05 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.467 ' HB2' HD11 ' A' ' 66' ' ' LEU . 11.2 ttmm -157.73 125.88 5.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.604 ' HA ' HG12 ' A' ' 63' ' ' VAL . 40.6 tttm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.807 0.337 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.793 HG11 HD23 ' A' ' 26' ' ' LEU . 16.5 m -135.04 146.86 29.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.5 HD11 ' HA2' ' A' ' 21' ' ' GLY . 2.4 tt -119.31 142.11 48.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 19' ' ' LYS . . . -76.94 139.98 40.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 52' ' ' LYS . 76.8 mt -99.55 -42.22 7.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.686 ' CD2' ' HB2' ' A' ' 3' ' ' ALA . 41.2 m-85 -111.52 167.66 10.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -91.4 129.4 37.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.5 t80 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.778 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.805 0.336 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.12 48.47 5.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.734 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -93.49 160.43 33.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.2 Cg_endo -69.73 167.71 23.61 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 156.69 62.57 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.664 2.242 . . . . 0.0 112.374 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 121.625 0.726 . . . . 0.0 110.871 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.892 0.377 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.616 HG13 ' HA3' ' A' ' 44' ' ' GLY . 30.0 m -138.63 129.92 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.5 m -52.49 130.18 30.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.8 ptm -134.78 129.29 34.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -120.47 148.74 43.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.87 130.77 29.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.616 ' HA2' HD11 ' A' ' 64' ' ' LEU . . . 94.13 -7.94 72.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.476 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.65 130.92 35.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.321 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.7 mt -94.96 103.11 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.55 HD22 HG21 ' A' ' 37' ' ' VAL . 4.8 mp -94.31 142.84 26.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 m -77.28 111.65 13.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.795 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -63.45 135.13 56.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.58 ' N ' HD13 ' A' ' 26' ' ' LEU . 17.7 mt -124.38 -54.95 1.67 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.538 ' OD1' HG23 ' A' ' 30' ' ' THR . 1.7 t-20 -128.06 132.52 49.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.1 p -132.51 39.35 3.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.538 HG23 ' OD1' ' A' ' 28' ' ' ASN . 21.4 p -69.07 -60.23 2.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -74.07 150.42 40.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -94.27 17.95 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -135.06 -41.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -114.02 118.67 34.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.646 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.8 m0 -115.12 141.2 48.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -97.67 119.83 36.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.795 HG12 ' HA ' ' A' ' 26' ' ' LEU . 34.7 m -136.18 175.48 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -123.2 122.5 38.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.1 p -141.4 147.06 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.08 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 57.17 40.86 27.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 60.75 21.53 11.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -128.98 161.8 29.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -121.94 136.63 54.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.616 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -169.17 -176.93 39.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -112.31 142.16 45.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -138.72 156.56 72.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 113.27 3.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.461 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -56.95 -23.67 47.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.66 -12.0 60.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -101.97 -25.09 13.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.558 HG12 ' HA ' ' A' ' 65' ' ' ALA . 19.5 m -113.35 -178.21 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.628 ' HB2' HD11 ' A' ' 66' ' ' LEU . 1.2 ttmp? -162.93 136.88 6.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.627 ' HA ' HG12 ' A' ' 63' ' ' VAL . 19.0 ttpt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.898 0.38 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.666 HG11 HD23 ' A' ' 26' ' ' LEU . 18.6 m -127.96 145.36 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.616 HD11 ' HA2' ' A' ' 21' ' ' GLY . 3.3 tt -112.65 138.42 49.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.558 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -76.52 142.12 41.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.628 HD11 ' HB2' ' A' ' 52' ' ' LYS . 8.3 mt -100.0 -46.11 5.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.734 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 34.4 m-85 -110.2 164.51 12.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -91.83 119.87 32.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 50.9 t80 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.85 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 ptt? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.814 0.34 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.29 43.72 9.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.709 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . . . -96.5 160.47 29.49 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.709 . . . . 0.0 111.112 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.1 Cg_endo -69.77 167.67 23.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 144.33 53.55 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.657 2.238 . . . . 0.0 112.325 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.624 0.726 . . . . 0.0 110.907 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.914 0.388 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.485 ' CG2' HG12 ' A' ' 39' ' ' VAL . 34.2 m -143.87 131.71 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 m -59.62 126.01 25.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.596 ' HE1' HG13 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -129.3 135.36 48.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.849 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -123.13 142.86 50.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -51.79 121.08 5.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.65 -10.27 32.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.471 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -89.88 139.33 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.321 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.524 HG21 HD12 ' A' ' 62' ' ' LEU . 33.2 mt -96.71 102.98 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.16 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.558 HD22 HG21 ' A' ' 37' ' ' VAL . 3.6 mp -88.76 140.8 29.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 m -76.01 108.27 8.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.789 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -62.04 133.41 55.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.571 ' N ' HD13 ' A' ' 26' ' ' LEU . 16.0 mt -123.2 -57.91 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.992 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -125.88 130.8 52.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 p -142.1 40.15 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.0 t -72.62 -25.4 61.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -99.83 179.94 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -123.79 25.52 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -141.61 -46.36 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -114.0 115.66 27.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.637 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.4 m0 -112.54 132.81 54.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -91.37 118.35 30.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.789 HG12 ' HA ' ' A' ' 26' ' ' LEU . 21.8 m -136.34 174.42 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -123.15 115.92 22.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.485 HG12 ' CG2' ' A' ' 16' ' ' VAL . 13.8 p -137.53 146.83 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 56.33 41.14 29.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 59.89 23.4 12.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.92 143.05 50.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -112.36 131.14 55.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.6 -177.92 41.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.527 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -98.66 156.31 16.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.39 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.5 m -153.92 155.91 31.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.641 0.734 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 111.7 2.88 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.695 2.264 . . . . 0.0 112.347 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.411 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -56.86 -24.21 49.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.43 -12.23 60.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.403 ' HB3' ' HE1' ' A' ' 18' ' ' MET . 3.7 m-85 -100.87 -24.26 14.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.637 HG12 ' HA ' ' A' ' 65' ' ' ALA . 29.1 m -111.54 179.89 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.91 134.12 6.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.643 ' HA ' HG12 ' A' ' 63' ' ' VAL . 52.2 mtmt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.524 HD12 HG21 ' A' ' 23' ' ' ILE . 1.8 pt? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.692 HG11 HD23 ' A' ' 26' ' ' LEU . 17.8 m -130.04 141.7 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 tt -110.28 139.39 45.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.637 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -75.51 138.38 41.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.9 mt -96.62 -39.89 9.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.709 ' CD2' ' HB2' ' A' ' 3' ' ' ALA . 39.1 m-85 -114.85 179.14 4.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -101.46 129.6 47.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.0 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.816 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.816 0.341 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.52 45.73 13.29 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.446 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.699 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . . . -95.14 160.45 30.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 111.054 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.4 Cg_endo -69.8 167.57 24.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 146.53 60.44 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.601 0.715 . . . . 0.0 110.892 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.831 0.348 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.57 HG13 ' HA3' ' A' ' 44' ' ' GLY . 6.3 m -144.0 135.84 22.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.8 m -66.23 144.88 56.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.7 ptm -148.74 148.28 29.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 35.6 ttpt -142.17 154.42 44.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 122.96 8.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.639 ' CA ' HD11 ' A' ' 64' ' ' LEU . . . 97.27 2.97 58.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.447 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -96.99 129.63 44.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.748 0.308 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 69.7 mt -90.82 135.71 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.578 HD22 HG21 ' A' ' 37' ' ' VAL . 4.0 mp -129.95 133.31 46.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.6 m -72.46 112.4 8.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.823 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -63.73 129.15 38.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.97 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.535 ' N ' HD13 ' A' ' 26' ' ' LEU . 86.5 mt -117.15 -50.94 2.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -138.7 135.98 35.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.1 p -138.01 25.68 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.9 p -59.54 -24.23 63.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.197 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -94.91 159.86 14.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -108.12 20.65 18.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -141.48 -44.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -114.03 121.88 45.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.537 ' CE3' HD21 ' A' ' 26' ' ' LEU . 6.8 m0 -113.09 128.87 56.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.951 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -86.58 113.94 22.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.823 HG12 ' HA ' ' A' ' 26' ' ' LEU . 21.7 m -130.07 175.16 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -120.86 118.86 31.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.5 p -140.71 147.11 23.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 58.68 38.65 25.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 62.39 19.3 11.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 mtp85 -128.47 163.58 24.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -123.02 136.16 54.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.57 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -168.75 -176.49 38.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -109.36 148.71 30.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.5 m -145.81 156.08 51.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.65 0.738 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 115.83 4.28 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.679 2.252 . . . . 0.0 112.305 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.2 -20.82 57.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.449 ' HB1' ' HG2' ' A' ' 4' ' ' PRO . . . -72.21 -8.88 57.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -105.85 -26.0 11.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.588 HG12 ' HA ' ' A' ' 65' ' ' ALA . 22.2 m -112.86 175.32 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.163 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.63 ' HB2' HD11 ' A' ' 66' ' ' LEU . 50.2 tttp -155.92 126.2 6.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HA ' HG12 ' A' ' 63' ' ' VAL . 11.3 pttp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.871 0.367 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.755 HG11 HD23 ' A' ' 26' ' ' LEU . 16.3 m -122.33 159.82 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.639 HD11 ' CA ' ' A' ' 21' ' ' GLY . 12.8 tp -128.4 139.42 52.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.588 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -76.32 137.95 40.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.63 HD11 ' HB2' ' A' ' 52' ' ' LYS . 66.2 mt -97.92 -44.92 6.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.699 ' CD2' ' HB2' ' A' ' 3' ' ' ALA . 40.4 m-85 -108.5 176.18 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -100.92 122.97 44.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 31.8 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 -179.892 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 ptt? . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.819 0.342 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.05 46.57 4.72 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.667 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -91.51 160.41 36.81 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.578 0.704 . . . . 0.0 111.122 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.2 Cg_endo -69.78 167.53 24.19 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.34 56.62 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.645 2.23 . . . . 0.0 112.326 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.643 0.735 . . . . 0.0 110.897 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.86 0.362 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.1 m -141.5 135.84 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 m -73.6 134.86 43.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.551 ' HG2' HG11 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -140.29 147.3 39.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.461 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 33.7 mtpt -137.14 157.22 47.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -51.5 117.25 2.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.597 ' CA ' HD11 ' A' ' 64' ' ' LEU . . . 100.95 6.95 51.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.471 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.555 ' O ' HD12 ' A' ' 64' ' ' LEU . 3.0 m-20 -97.8 134.87 40.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.766 0.317 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.8 mm -91.76 136.97 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 18' ' ' MET . 3.0 mp -135.75 129.28 32.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 83.9 m -71.56 119.59 15.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.813 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -69.68 130.94 43.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.566 ' N ' HD13 ' A' ' 26' ' ' LEU . 25.6 mt -117.71 -52.43 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -139.8 139.84 36.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 p -137.41 35.05 2.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.8 p -60.45 -43.85 96.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.144 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -82.45 148.06 28.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -93.67 18.02 10.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -136.4 -41.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -114.15 125.79 54.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.499 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.4 m0 -116.48 128.54 55.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -85.54 115.37 23.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.813 HG12 ' HA ' ' A' ' 26' ' ' LEU . 30.4 m -132.9 -179.55 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -130.14 120.86 25.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 p -139.96 147.11 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 56.71 43.44 25.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 58.47 21.8 8.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -127.62 157.03 41.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.67 146.83 44.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.4 -167.5 38.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.517 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -122.46 145.62 48.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.551 HG11 ' HG2' ' A' ' 18' ' ' MET . 3.3 m -139.56 156.13 71.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 117.52 5.13 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.343 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.96 -21.15 57.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.501 ' HB1' ' HG2' ' A' ' 4' ' ' PRO . . . -71.31 -9.71 58.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.145 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -106.07 -25.52 12.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.613 HG12 ' HA ' ' A' ' 65' ' ' ALA . 20.4 m -114.54 -178.7 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.638 ' HB2' HD11 ' A' ' 66' ' ' LEU . 34.9 ttmt -163.11 136.11 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.653 ' HA ' HG12 ' A' ' 63' ' ' VAL . 20.0 tttp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.653 HG12 ' HA ' ' A' ' 53' ' ' LYS . 17.2 m -123.33 152.24 28.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.597 HD11 ' CA ' ' A' ' 21' ' ' GLY . 17.6 tp -119.98 146.98 45.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.613 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -80.12 136.76 36.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.638 HD11 ' HB2' ' A' ' 52' ' ' LYS . 48.0 mt -96.8 -43.54 7.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.667 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 44.2 m-85 -110.43 -171.84 1.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -110.89 122.36 47.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 27.5 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.82 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.2 mtm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.779 0.323 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.48 44.5 41.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.649 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . . . -90.5 160.48 39.11 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.7 Cg_endo -69.76 167.71 23.66 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.248 . . . . 0.0 112.329 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 139.53 40.5 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.355 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.636 0.731 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.926 0.393 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.6 m -140.28 135.06 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 m -62.33 132.41 52.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.2 ptm -130.45 111.78 12.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.494 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -95.15 146.1 24.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 116.19 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.19 12.41 54.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -90.04 137.44 32.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.761 0.315 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.6 mt -94.22 103.05 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.523 HD22 HG21 ' A' ' 37' ' ' VAL . 4.7 mp -97.67 132.42 43.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.9 m -71.3 109.57 5.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.811 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -62.08 123.56 18.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.47 ' N ' HD13 ' A' ' 26' ' ' LEU . 18.5 mt -108.88 -49.25 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -145.83 135.35 23.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 p -127.6 23.85 6.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 t -51.73 -31.8 27.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -92.97 174.49 7.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -114.24 -20.35 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -107.01 -35.75 6.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -113.96 120.03 39.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.517 ' CE3' HD21 ' A' ' 26' ' ' LEU . 4.8 m0 -117.57 132.7 56.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.54 119.93 29.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.811 HG12 ' HA ' ' A' ' 26' ' ' LEU . 33.7 m -139.74 173.14 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -123.55 120.66 33.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 p -143.63 146.67 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 54.83 44.01 29.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.6 t70 56.8 24.71 9.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -136.73 130.42 31.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -104.44 138.73 40.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.67 -175.06 41.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -99.13 144.45 28.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -143.11 156.52 61.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 108.88 2.18 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.634 2.223 . . . . 0.0 112.376 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.52 -24.32 45.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.04 -11.75 61.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -100.05 -23.14 14.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 65' ' ' ALA . 33.3 m -116.25 -179.23 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.78 ' HB2' HD11 ' A' ' 66' ' ' LEU . 21.3 ttmt -160.59 138.14 9.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.666 ' HA ' HG12 ' A' ' 63' ' ' VAL . 32.1 mtmm . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.666 HG12 ' HA ' ' A' ' 53' ' ' LYS . 18.8 m -127.71 141.47 46.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.3 tp -105.82 141.71 36.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.652 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -75.06 137.55 41.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.78 HD11 ' HB2' ' A' ' 52' ' ' LYS . 43.6 mt -98.52 -40.59 8.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.649 ' CD2' ' HB2' ' A' ' 3' ' ' ALA . 46.2 m-85 -115.78 170.72 8.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -94.81 121.3 36.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 66.9 t80 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.817 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 ttp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.805 0.336 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.63 38.43 20.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.672 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . . . -87.64 160.39 47.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.589 0.709 . . . . 0.0 111.108 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.566 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.2 Cg_endo -69.76 167.75 23.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 139.54 40.37 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.633 2.222 . . . . 0.0 112.353 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 0.0 110.913 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.903 0.382 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.493 ' CG2' HG12 ' A' ' 39' ' ' VAL . 34.8 m -138.99 133.43 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 m -61.64 140.32 58.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.534 ' HE1' HG13 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -143.68 136.46 27.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.449 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 16.2 ptmt -121.24 144.54 48.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 126.14 17.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.535 ' HA2' HD11 ' A' ' 64' ' ' LEU . . . 105.6 -14.6 46.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.483 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -87.32 135.68 33.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.2 mt -94.98 104.16 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.725 HD22 ' HB ' ' A' ' 39' ' ' VAL . 3.5 mt -88.81 141.8 28.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 m -74.28 109.84 8.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.794 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.4 OUTLIER -64.02 118.54 8.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.1 mt -101.19 -51.65 3.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -148.94 140.14 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -129.87 33.03 4.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.9 p -51.51 -43.52 62.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.171 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.23 -179.25 7.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -113.29 -23.05 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -113.41 -23.46 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -114.0 112.04 22.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -116.34 131.26 56.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -91.78 120.45 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.794 HG12 ' HA ' ' A' ' 26' ' ' LEU . 34.9 m -135.12 177.96 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -122.52 121.31 36.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.725 ' HB ' HD22 ' A' ' 24' ' ' LEU . 14.0 p -144.5 146.71 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 56.41 40.78 29.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.29 23.05 11.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.442 ' O ' HG11 ' A' ' 16' ' ' VAL . 3.9 mmp_? -135.14 137.15 42.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -104.3 138.64 40.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -172.63 -176.41 41.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.497 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -100.47 151.74 21.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -151.24 156.49 35.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.585 0.707 . . . . 0.0 111.12 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 108.38 2.06 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.626 2.217 . . . . 0.0 112.386 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.509 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -54.86 -30.53 58.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.9 -17.72 57.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.072 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -93.55 -22.1 19.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.558 HG12 ' HA ' ' A' ' 65' ' ' ALA . 18.9 m -116.02 -173.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.093 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.644 ' HB2' HD11 ' A' ' 66' ' ' LEU . 16.6 ttmt -161.7 129.07 4.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.605 ' HA ' HG12 ' A' ' 63' ' ' VAL . 19.1 pttp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.905 0.383 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.681 HG11 HD23 ' A' ' 26' ' ' LEU . 16.9 m -131.81 136.81 56.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.535 HD11 ' HA2' ' A' ' 21' ' ' GLY . 1.3 tt -107.75 142.35 37.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.558 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -76.17 142.77 41.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.644 HD11 ' HB2' ' A' ' 52' ' ' LYS . 82.1 mt -103.71 -37.9 7.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.672 ' CD2' ' HB2' ' A' ' 3' ' ' ALA . 64.1 m-85 -115.43 -174.75 2.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -106.38 125.29 50.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 68.9 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.84 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ttt . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.882 0.373 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.35 46.21 7.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.732 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -93.71 160.41 32.77 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.568 0.699 . . . . 0.0 111.096 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.2 Cg_endo -69.77 167.73 23.61 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.636 2.224 . . . . 0.0 112.369 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 145.6 57.35 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.636 2.224 . . . . 0.0 112.364 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.887 0.375 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.1 m -141.47 133.71 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.6 m -54.8 126.51 24.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.401 ' HB3' HD21 ' A' ' 24' ' ' LEU . 5.6 ptm -134.12 129.19 35.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 22.9 ttpt -122.96 147.86 46.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.06 130.55 30.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.696 ' HA2' HD21 ' A' ' 64' ' ' LEU . . . 92.08 -5.13 78.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.49 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -84.68 142.85 29.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.783 0.325 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 63.2 mt -98.89 113.27 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.543 HD22 HG21 ' A' ' 37' ' ' VAL . 4.5 mp -106.97 133.0 52.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 m -70.95 104.81 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.79 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.4 OUTLIER -59.97 132.65 54.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.608 ' N ' HD13 ' A' ' 26' ' ' LEU . 49.3 mt -124.23 -59.26 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -118.12 133.71 55.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.461 ' HB3' HD11 ' A' ' 26' ' ' LEU . 86.2 p -138.01 24.45 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.4 p -62.42 -36.69 83.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.179 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -85.6 178.35 7.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -120.31 -8.01 9.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -118.07 -37.63 3.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -114.02 118.38 33.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.601 ' CE3' HD21 ' A' ' 26' ' ' LEU . 5.9 m0 -116.98 143.21 45.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -98.7 122.67 42.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.79 HG12 ' HA ' ' A' ' 26' ' ' LEU . 33.1 m -139.85 171.99 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -122.24 114.6 21.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.8 p -137.09 146.77 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 55.74 42.98 28.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.2 t70 57.69 23.44 9.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.5 mmt-85 -134.88 131.73 37.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.34 138.67 40.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.89 -174.29 40.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -98.17 153.4 18.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.841 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -154.36 156.53 31.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.658 0.742 . . . . 0.0 111.103 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 108.09 2.0 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.7 2.266 . . . . 0.0 112.327 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.432 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -55.83 -25.4 41.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.08 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.73 -17.56 64.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -93.2 -25.47 17.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.566 HG12 ' HA ' ' A' ' 65' ' ' ALA . 19.2 m -112.84 -176.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.814 ' HB2' HD11 ' A' ' 66' ' ' LEU . 31.2 tttt -162.29 133.2 4.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.582 ' HA ' HG12 ' A' ' 63' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.847 0.356 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.697 HG11 HD23 ' A' ' 26' ' ' LEU . 16.4 m -130.42 141.79 45.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.696 HD21 ' HA2' ' A' ' 21' ' ' GLY . 2.9 tp -113.25 148.79 34.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.566 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -79.36 144.45 34.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.814 HD11 ' HB2' ' A' ' 52' ' ' LYS . 19.5 mt -102.92 -45.28 5.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.732 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 42.4 m-85 -110.83 -178.68 3.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -103.72 129.36 51.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 45.6 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.849 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 mmm . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.798 0.332 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.68 45.18 7.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.733 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -93.41 160.4 33.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.595 0.712 . . . . 0.0 111.098 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.8 Cg_endo -69.74 167.7 23.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.353 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 146.06 58.93 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.581 0.705 . . . . 0.0 110.928 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.929 0.395 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.485 HG11 ' O ' ' A' ' 42' ' ' ARG . 9.8 m -135.77 135.33 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 m -65.25 125.58 25.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.7 ptm -127.07 136.05 51.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.426 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 33.5 mtmt -125.55 147.27 49.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -51.77 112.36 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.698 ' HA2' HD11 ' A' ' 64' ' ' LEU . . . 107.17 6.84 33.64 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.469 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.4 ' O ' HD12 ' A' ' 64' ' ' LEU . 1.3 m-20 -96.99 138.94 33.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 110.86 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.8 mp -98.99 117.36 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.557 HD22 HG21 ' A' ' 37' ' ' VAL . 3.6 mp -109.57 142.55 40.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.0 m -79.92 109.31 14.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.806 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -61.09 133.61 56.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.961 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.665 HD13 ' HE3' ' A' ' 36' ' ' LYS . 11.0 mt -124.07 -54.1 1.72 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.559 ' OD1' HG23 ' A' ' 30' ' ' THR . 1.7 t-20 -128.9 131.55 47.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.405 ' HB3' HD11 ' A' ' 26' ' ' LEU . 87.7 p -133.23 39.72 3.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.559 HG23 ' OD1' ' A' ' 28' ' ' ASN . 25.7 p -68.25 -58.21 4.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -80.19 152.07 29.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -95.55 24.21 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -138.44 -43.45 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -113.95 110.09 19.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.626 ' CE3' HD21 ' A' ' 26' ' ' LEU . 6.7 m0 -108.2 138.9 43.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.665 ' HE3' HD13 ' A' ' 27' ' ' LEU . 2.4 tmmm? -96.89 122.06 39.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.806 HG12 ' HA ' ' A' ' 26' ' ' LEU . 24.9 m -140.01 172.99 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -124.06 115.18 20.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 p -138.14 146.72 26.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 55.51 42.62 29.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 58.06 24.04 10.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.485 ' O ' HG11 ' A' ' 16' ' ' VAL . 25.1 mmt180 -136.14 131.74 35.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -104.43 138.8 40.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.95 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.75 -175.32 38.72 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -107.53 125.55 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 m -122.46 156.69 60.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.633 0.73 . . . . 0.0 111.145 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 114.35 3.68 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.8 -20.14 54.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.48 -7.76 53.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -105.19 -24.88 12.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' ' 65' ' ' ALA . 18.0 m -114.31 -175.74 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.766 ' HB2' HD11 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -163.12 132.62 4.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.641 ' HA ' HG12 ' A' ' 63' ' ' VAL . 26.5 ttmt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.9 0.381 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.756 HG11 HD23 ' A' ' 26' ' ' LEU . 16.8 m -126.09 152.75 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.698 HD11 ' HA2' ' A' ' 21' ' ' GLY . 16.3 tp -117.21 144.37 44.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.609 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -82.09 136.03 35.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.766 HD11 ' HB2' ' A' ' 52' ' ' LYS . 13.0 mt -96.54 -49.1 5.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.733 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 38.3 m-85 -108.16 168.7 9.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -95.15 122.42 37.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 44.1 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.864 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.791 0.329 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.0 42.23 11.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.753 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -93.4 160.35 33.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.546 0.689 . . . . 0.0 111.118 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.569 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.8 Cg_endo -69.73 167.74 23.52 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 139.86 41.26 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.653 2.235 . . . . 0.0 112.353 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.674 0.75 . . . . 0.0 110.872 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.886 0.374 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.9 m -144.5 133.18 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 m -60.76 118.34 6.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.4 ptm -120.6 140.94 50.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -127.5 143.58 51.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 130.41 29.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.508 ' HA2' HD11 ' A' ' 64' ' ' LEU . . . 94.02 -6.99 73.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.528 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.49 138.02 31.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.778 0.323 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.448 HG21 HD12 ' A' ' 62' ' ' LEU . 31.0 mt -98.31 109.45 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.151 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.554 HD22 HG21 ' A' ' 37' ' ' VAL . 4.6 mp -95.92 141.17 29.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 m -73.88 104.92 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.799 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -60.49 135.09 57.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.589 ' N ' HD13 ' A' ' 26' ' ' LEU . 21.4 mt -127.59 -56.32 1.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -120.98 129.93 53.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.458 ' HB3' HD11 ' A' ' 26' ' ' LEU . 60.2 p -137.77 34.44 2.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.3 t -73.6 -35.45 65.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.16 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -86.26 169.56 12.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -114.56 12.24 17.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.57 -43.55 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -113.74 120.69 41.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.657 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.3 m0 -116.38 141.42 48.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.579 ' NZ ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -96.67 121.57 38.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.799 HG12 ' HA ' ' A' ' 26' ' ' LEU . 22.6 m -139.12 176.13 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -123.35 118.43 27.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -144.61 146.77 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 m120 59.0 38.47 24.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 62.0 17.51 9.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -135.89 137.81 41.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.58 154.63 20.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 174.5 -175.7 46.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -99.2 144.42 28.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 m -145.25 156.92 53.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.667 0.746 . . . . 0.0 111.111 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 110.42 2.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.487 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -57.76 -30.29 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.87 -16.74 59.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -93.2 -21.9 19.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.578 HG12 ' HA ' ' A' ' 65' ' ' ALA . 20.1 m -115.09 -174.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.675 ' HB2' HD11 ' A' ' 66' ' ' LEU . 36.4 tttp -162.49 131.43 4.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.645 ' HA ' HG12 ' A' ' 63' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.448 HD12 HG21 ' A' ' 23' ' ' ILE . 1.5 pt? . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.869 0.366 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.645 HG12 ' HA ' ' A' ' 53' ' ' LYS . 17.5 m -128.12 146.06 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.508 HD11 ' HA2' ' A' ' 21' ' ' GLY . 4.5 tt -110.61 139.32 45.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.578 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -78.03 140.78 39.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.675 HD11 ' HB2' ' A' ' 52' ' ' LYS . 54.2 mt -100.73 -44.66 5.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.753 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 34.7 m-85 -112.46 154.77 25.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -81.51 127.82 33.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 60.8 t80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.786 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ptt? . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.869 0.366 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.16 66.71 1.59 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.59 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . -102.26 160.34 26.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.701 . . . . 0.0 111.108 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.59 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.1 Cg_endo -69.74 167.68 23.72 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 144.14 53.42 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.273 . . . . 0.0 112.385 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 121.651 0.739 . . . . 0.0 110.865 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.878 0.37 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.45 HG13 ' HA3' ' A' ' 44' ' ' GLY . 6.2 m -145.28 130.07 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -61.07 119.16 7.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.58 147.97 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.5 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 6.3 tppt? -121.14 144.07 48.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -56.98 107.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.33 14.03 29.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -93.03 144.09 25.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.77 0.319 . . . . 0.0 110.854 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 64.3 mt -92.99 110.34 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.538 HD22 HG21 ' A' ' 37' ' ' VAL . 4.5 mp -106.3 139.71 40.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.2 m -75.54 105.71 6.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.805 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -60.61 132.07 52.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.621 ' N ' HD13 ' A' ' 26' ' ' LEU . 29.0 mt -123.79 -56.15 1.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -122.83 131.29 53.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.525 ' HB3' HD11 ' A' ' 26' ' ' LEU . 92.1 p -138.21 31.4 2.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.0 p -69.82 -39.54 76.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -83.46 168.77 16.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -114.53 14.64 17.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.49 -44.43 0.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -114.05 119.65 37.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.531 ' CE3' HD21 ' A' ' 26' ' ' LEU . 6.7 m0 -113.81 140.2 48.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -95.92 120.92 37.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.805 HG12 ' HA ' ' A' ' 26' ' ' LEU . 30.1 m -139.99 170.66 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -119.67 119.93 35.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -143.02 146.73 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 55.61 42.98 28.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 57.57 23.64 9.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -135.66 132.71 37.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.34 138.65 40.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.45 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -171.58 -170.47 35.65 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -108.79 143.61 37.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.14 156.42 64.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.593 0.711 . . . . 0.0 111.179 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 111.66 2.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.302 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.55 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -56.82 -27.45 60.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.94 -15.11 61.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.053 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -97.91 -22.28 16.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.963 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.55 HG22 ' HA ' ' A' ' 48' ' ' ALA . 19.3 m -114.16 -175.68 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.807 ' HB3' HD21 ' A' ' 66' ' ' LEU . 26.6 tptt -161.07 125.23 3.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.521 ' HA ' HG12 ' A' ' 63' ' ' VAL . 16.1 ptpt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.855 0.359 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.769 HG11 HD23 ' A' ' 26' ' ' LEU . 16.9 m -127.96 148.02 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.6 tp -117.07 135.82 53.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 19' ' ' LYS . . . -73.23 153.15 40.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.807 HD21 ' HB3' ' A' ' 52' ' ' LYS . 21.5 mt -108.73 -46.69 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -119.62 147.06 44.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -66.03 139.19 58.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 91.9 t80 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.847 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpt . . . . . 0 N--CA 1.458 -0.043 0 CA-C-O 120.8 0.333 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.54 44.7 4.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.719 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -87.86 160.38 46.92 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.609 0.719 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.1 Cg_endo -69.75 167.64 23.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 0.0 112.395 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 145.77 58.24 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.751 2.301 . . . . 0.0 112.319 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.635 0.731 . . . . 0.0 110.888 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.854 0.359 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.555 HG13 ' HA3' ' A' ' 44' ' ' GLY . 11.1 m -145.6 129.9 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.6 m -58.49 129.06 40.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.9 ptm -131.95 136.05 47.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -114.22 141.12 47.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -55.0 110.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.496 ' O ' HD11 ' A' ' 64' ' ' LEU . . . 107.4 7.19 32.71 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.496 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -93.09 136.29 33.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.343 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.6 mt -88.56 106.62 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.777 HD22 ' HB ' ' A' ' 39' ' ' VAL . 4.1 mt -100.01 134.05 43.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 m -67.21 107.38 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.752 HD23 HG11 ' A' ' 63' ' ' VAL . 0.5 OUTLIER -63.62 131.52 48.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.622 ' N ' HD13 ' A' ' 26' ' ' LEU . 16.7 mt -119.62 -56.9 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.39 135.97 50.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.536 ' OG ' HD11 ' A' ' 26' ' ' LEU . 12.5 m -140.0 37.72 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.4 t -76.91 -35.71 57.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -80.03 165.64 22.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -114.36 27.64 9.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -152.17 -45.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -114.03 115.85 28.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.499 ' CE3' HD21 ' A' ' 26' ' ' LEU . 6.7 m0 -108.54 143.45 37.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -96.07 116.14 28.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.728 HG12 ' HA ' ' A' ' 26' ' ' LEU . 31.0 m -132.71 175.57 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -125.15 115.4 20.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.777 ' HB ' HD22 ' A' ' 24' ' ' LEU . 14.7 p -131.83 146.75 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 55.76 41.33 30.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 59.27 24.35 12.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -130.79 144.69 51.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.46 138.27 41.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.555 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -174.05 -174.8 41.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -109.34 156.53 19.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 m -154.52 156.57 31.72 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.628 0.728 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 109.89 2.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.513 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -55.17 -28.57 53.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.67 -16.02 59.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.073 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -96.53 -26.19 15.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.513 HG22 ' HA ' ' A' ' 48' ' ' ALA . 19.3 m -111.42 -174.0 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.793 ' HB3' HD21 ' A' ' 66' ' ' LEU . 63.1 tttp -162.64 133.53 4.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.585 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.9 ttpm? . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.752 HG11 HD23 ' A' ' 26' ' ' LEU . 17.7 m -131.75 141.42 45.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.496 HD11 ' O ' ' A' ' 21' ' ' GLY . 4.5 tp -112.96 138.92 49.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.496 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -72.61 149.63 43.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.793 HD21 ' HB3' ' A' ' 52' ' ' LYS . 21.4 mt -106.84 -44.54 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.719 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 36.3 m-85 -113.23 173.49 6.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -93.86 133.87 36.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 74.4 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.85 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 mtt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.813 0.339 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.43 51.65 25.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.598 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . -93.07 160.44 33.59 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.579 0.704 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.598 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.7 Cg_endo -69.7 167.69 23.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.49 40.34 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.721 . . . . 0.0 110.86 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.87 0.367 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.602 HG13 ' HA3' ' A' ' 44' ' ' GLY . 6.3 m -139.31 131.31 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 36.2 m -60.08 123.53 17.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.3 ptm -123.72 129.06 50.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -107.18 134.27 50.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -53.38 114.11 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.597 ' CA ' HD21 ' A' ' 64' ' ' LEU . . . 109.62 0.61 30.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.53 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -99.37 140.24 33.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.596 HG12 HD12 ' A' ' 64' ' ' LEU . 61.2 mt -89.71 130.84 38.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.79 HD22 ' HB ' ' A' ' 39' ' ' VAL . 4.5 mt -116.79 136.86 52.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 m -70.41 104.08 2.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.791 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -61.13 132.29 53.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.616 ' N ' HD13 ' A' ' 26' ' ' LEU . 21.8 mt -121.82 -57.78 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.439 ' OD1' HG22 ' A' ' 30' ' ' THR . 1.9 t-20 -126.87 132.52 50.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 p -141.42 26.06 1.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.439 HG22 ' OD1' ' A' ' 28' ' ' ASN . 5.9 t -63.14 -27.53 69.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.191 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -97.81 175.95 5.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.7 pttm -123.71 25.91 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.17 -60.98 0.94 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -113.93 112.66 23.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.456 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.6 m0 -98.54 137.03 37.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -91.2 116.81 29.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.791 HG12 ' HA ' ' A' ' 26' ' ' LEU . 32.5 m -134.85 174.91 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.086 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -121.72 115.63 23.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.79 ' HB ' HD22 ' A' ' 24' ' ' LEU . 14.9 p -134.4 146.74 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.194 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 55.92 41.98 29.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 58.2 23.69 10.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -131.16 145.66 52.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.53 138.27 41.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.602 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -172.97 -166.22 31.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -121.96 159.16 27.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.921 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 m -154.58 156.81 31.92 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.602 0.715 . . . . 0.0 111.139 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 115.68 4.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.244 . . . . 0.0 112.337 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.42 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -57.06 -22.89 42.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.503 ' HB1' ' HG2' ' A' ' 4' ' ' PRO . . . -69.2 -11.38 60.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -104.97 -25.92 12.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.964 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 65' ' ' ALA . 35.0 m -111.1 179.58 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.177 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.754 ' HB2' HD11 ' A' ' 66' ' ' LEU . 33.8 tttt -163.2 131.41 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.527 ' HA ' HG12 ' A' ' 63' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.839 0.352 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.664 HG11 HD23 ' A' ' 26' ' ' LEU . 15.1 m -125.55 156.13 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.597 HD21 ' CA ' ' A' ' 21' ' ' GLY . 1.1 tt -125.09 158.39 33.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.557 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -91.21 139.31 30.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 52' ' ' LYS . 41.9 mt -97.88 -47.42 5.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -108.87 -177.54 3.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.957 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -102.79 132.56 48.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.5 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.808 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.49 55.72 14.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.585 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . -92.51 160.45 34.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 111.114 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.585 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.6 Cg_endo -69.8 167.68 23.81 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 2.283 . . . . 0.0 112.32 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 139.35 39.98 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.661 2.241 . . . . 0.0 112.389 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.582 0.706 . . . . 0.0 110.94 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.855 0.36 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.2 m -139.17 134.0 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.7 m -54.21 115.33 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.9 ptm -112.76 115.07 27.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.54 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 79.5 mttt -89.85 145.13 25.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -58.73 110.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.49 12.2 42.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -89.09 145.09 25.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.648 HG23 HD12 ' A' ' 62' ' ' LEU . 63.4 mt -93.17 108.07 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.464 HD22 HG21 ' A' ' 37' ' ' VAL . 4.5 mp -103.14 138.56 39.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.9 m -79.62 109.85 14.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.749 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -62.67 134.74 56.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.652 HD13 ' NZ ' ' A' ' 36' ' ' LYS . 21.7 mt -125.86 -48.33 1.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.969 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -134.37 132.87 39.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.5 p -140.3 28.2 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -59.86 -27.79 66.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.152 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -98.94 -175.98 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -125.09 -0.82 7.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -118.85 -41.2 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -113.98 117.81 32.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.62 ' CE3' HD21 ' A' ' 26' ' ' LEU . 6.1 m0 -116.7 136.17 53.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.652 ' NZ ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -95.16 122.23 37.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.958 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.749 HG12 ' HA ' ' A' ' 26' ' ' LEU . 19.8 m -139.96 176.26 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -125.68 117.19 22.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.6 p -137.65 146.69 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 56.46 41.74 28.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 59.07 22.59 10.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -131.03 134.64 46.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.42 138.58 40.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.56 -170.72 38.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -107.0 154.44 21.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.906 0.384 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 m -153.63 156.48 32.3 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.626 0.727 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 110.96 2.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.351 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.4 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -57.94 -24.7 59.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.6 -12.06 60.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -99.95 -19.38 16.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' A' ' 65' ' ' ALA . 19.1 m -120.55 -178.01 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.163 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.779 ' HB2' HD11 ' A' ' 66' ' ' LEU . 24.4 tttm -162.87 139.46 7.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.61 ' HA ' HG12 ' A' ' 63' ' ' VAL . 23.3 mtpp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.648 HD12 HG23 ' A' ' 23' ' ' ILE . 1.4 pt? . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.886 0.374 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.61 HG12 ' HA ' ' A' ' 53' ' ' LYS . 17.8 m -127.72 148.77 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.5 tp -116.24 144.82 43.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.547 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -76.16 141.74 41.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.779 HD11 ' HB2' ' A' ' 52' ' ' LYS . 32.6 mt -100.51 -46.34 5.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -117.64 149.31 40.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -71.63 129.39 38.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 62.7 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.845 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 tpt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.69 42.49 11.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.744 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -91.61 160.5 36.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.71 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.4 Cg_endo -69.77 167.68 23.74 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 139.4 40.17 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.727 2.285 . . . . 0.0 112.367 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.626 0.727 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.891 0.377 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.475 HG13 ' HA3' ' A' ' 44' ' ' GLY . 34.2 m -138.31 132.07 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.6 m -62.14 134.38 56.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.543 ' HE1' HG13 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -142.93 136.51 28.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.588 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -127.61 152.56 47.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.36 122.66 10.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.53 ' HA2' HD21 ' A' ' 64' ' ' LEU . . . 103.29 -5.4 49.01 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.537 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -87.41 143.21 27.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.783 0.325 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mt -100.83 109.95 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 18' ' ' MET . 4.8 mp -103.75 134.95 46.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.9 m -72.16 111.73 7.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.748 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -73.99 128.34 35.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.483 HD12 HE22 ' A' ' 43' ' ' GLN . 33.7 mt -119.64 -51.2 2.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.53 139.22 49.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 p -151.16 36.54 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.6 t -66.42 -24.84 66.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -93.27 168.6 10.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -114.13 25.54 11.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -142.57 -47.73 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -113.96 126.62 55.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.47 ' CE3' HD21 ' A' ' 26' ' ' LEU . 10.5 m0 -116.54 131.3 56.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -86.55 114.63 23.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.748 HG12 ' HA ' ' A' ' 26' ' ' LEU . 14.8 m -138.41 176.12 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -128.48 120.56 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 p -137.18 146.49 27.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.0 m120 51.83 48.51 22.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 53.58 28.22 7.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -131.49 135.82 47.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.483 HE22 HD12 ' A' ' 27' ' ' LEU . 58.6 tp60 -104.49 136.86 43.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.475 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . 178.91 179.45 48.65 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.535 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -101.75 157.26 16.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.905 0.383 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.3 m -150.4 156.16 36.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.651 0.738 . . . . 0.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 114.98 3.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.06 -19.48 53.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.46 -6.57 49.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.47 ' CB ' ' HE1' ' A' ' 18' ' ' MET . 3.9 m-85 -107.31 -24.34 11.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.597 HG12 ' HA ' ' A' ' 65' ' ' ALA . 32.8 m -114.86 179.4 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.681 ' HB2' HD11 ' A' ' 66' ' ' LEU . 18.8 ttpt -161.37 135.28 6.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.576 ' HA ' HG12 ' A' ' 63' ' ' VAL . 13.2 pttt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.872 0.368 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.713 HG11 HD23 ' A' ' 26' ' ' LEU . 12.6 m -126.04 144.27 36.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.53 HD21 ' HA2' ' A' ' 21' ' ' GLY . 2.4 tp -111.68 148.02 34.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.597 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -78.03 144.94 36.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.681 HD11 ' HB2' ' A' ' 52' ' ' LYS . 54.1 mt -103.66 -39.43 6.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.744 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 48.1 m-85 -116.17 -172.9 2.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -108.36 129.56 55.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 41.1 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.801 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.796 0.331 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.7 37.99 6.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.662 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -86.71 160.41 50.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.708 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.0 Cg_endo -69.77 167.77 23.49 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.62 48.4 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.316 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.901 0.381 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.2 m -137.0 132.99 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 m -58.54 118.11 5.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.4 ptm -120.18 142.75 48.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.591 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 54.4 mttt -130.57 144.48 51.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.81 128.29 23.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.86 -3.75 67.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.49 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -86.31 145.13 27.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 60.9 mt -101.33 112.48 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.423 HD23 ' HB ' ' A' ' 39' ' ' VAL . 2.6 mp -104.31 133.69 48.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -70.61 108.68 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.775 HD22 HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -69.86 127.27 32.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.538 ' N ' HD13 ' A' ' 26' ' ' LEU . 30.4 mt -119.44 -54.92 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -121.7 130.96 53.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.437 ' HB3' HD11 ' A' ' 26' ' ' LEU . 10.5 p -139.96 33.69 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -69.76 -30.71 68.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.129 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.82 -179.99 6.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -123.67 -3.84 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -118.21 -45.67 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -113.87 122.88 48.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.602 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.3 m0 -116.97 144.87 44.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -98.02 118.79 35.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.775 HG12 HD22 ' A' ' 26' ' ' LEU . 13.4 m -139.91 175.3 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -126.5 111.96 15.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.423 ' HB ' HD23 ' A' ' 24' ' ' LEU . 14.1 p -128.85 146.74 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.6 m120 52.02 48.55 22.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 53.39 27.97 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -131.44 134.15 45.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.406 ' OE1' HD12 ' A' ' 27' ' ' LEU . 48.1 tp60 -104.37 134.28 47.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.98 -174.8 44.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -103.58 155.86 18.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -154.36 156.84 32.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.711 . . . . 0.0 111.133 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 116.51 4.59 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.369 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.53 -23.61 67.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.01 -10.88 60.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.063 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -100.13 -18.37 16.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.588 HG12 ' HA ' ' A' ' 65' ' ' ALA . 19.0 m -122.09 -175.85 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.711 ' HB2' HD11 ' A' ' 66' ' ' LEU . 25.0 ttmt -157.98 133.08 8.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.599 ' HA ' HG12 ' A' ' 63' ' ' VAL . 19.4 ttpp . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.848 0.356 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.657 HG11 HD23 ' A' ' 26' ' ' LEU . 16.4 m -132.97 143.54 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 tp -108.58 150.92 26.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 19' ' ' LYS . . . -84.34 142.46 30.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.066 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.711 HD11 ' HB2' ' A' ' 52' ' ' LYS . 44.2 mt -105.36 -45.45 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.662 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 34.3 m-85 -115.46 160.56 19.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -85.72 128.74 34.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 52.0 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.813 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.034 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.04 47.71 17.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.659 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -93.67 160.49 32.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 111.086 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.8 Cg_endo -69.8 167.78 23.51 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.627 2.218 . . . . 0.0 112.36 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.37 56.91 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.642 0.734 . . . . 0.0 110.94 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.907 0.384 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.502 HG13 ' HA3' ' A' ' 44' ' ' GLY . 16.3 m -144.43 134.28 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.471 ' O ' HG11 ' A' ' 39' ' ' VAL . 7.3 m -58.03 137.78 56.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.6 ptm -132.93 137.8 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.461 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 9.3 ttpp -115.56 137.29 52.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -53.14 114.16 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.473 ' O ' HD11 ' A' ' 64' ' ' LEU . . . 103.25 6.88 44.37 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -95.1 133.38 38.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.781 0.324 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 72.0 mt -88.01 103.2 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.782 HD22 ' HB ' ' A' ' 39' ' ' VAL . 4.7 mt -92.55 139.79 30.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.947 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.9 m -73.7 107.92 6.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.793 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -64.66 124.89 23.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.51 ' N ' HD13 ' A' ' 26' ' ' LEU . 24.2 mt -111.39 -47.73 3.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -145.94 134.54 22.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.522 ' OG ' HD11 ' A' ' 26' ' ' LEU . 23.5 m -131.17 26.5 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 t -51.44 -30.38 19.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -96.62 177.64 5.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -117.12 -14.64 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -109.39 -37.01 5.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -114.03 118.29 33.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -117.12 132.03 56.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HE3' HD13 ' A' ' 27' ' ' LEU . 2.9 tmmm? -90.78 115.67 28.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.793 HG12 ' HA ' ' A' ' 26' ' ' LEU . 27.3 m -135.76 177.21 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.64 122.43 39.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.782 ' HB ' HD22 ' A' ' 24' ' ' LEU . 12.7 p -140.73 144.92 26.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 54.86 37.81 29.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.62 27.09 14.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.1 tpt85 -132.42 135.66 46.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -104.42 126.01 51.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.502 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -166.54 -172.22 33.58 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -104.36 156.33 18.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -154.18 156.57 31.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.623 0.725 . . . . 0.0 111.12 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 108.65 2.12 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.731 2.287 . . . . 0.0 112.342 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.492 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -55.14 -26.53 39.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.04 -19.28 65.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.091 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -92.23 -24.46 19.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.492 HG22 ' HA ' ' A' ' 48' ' ' ALA . 20.3 m -113.05 -174.53 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.628 ' HB2' HD11 ' A' ' 66' ' ' LEU . 9.5 tppt? -163.11 124.56 2.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.52 ' HA ' HG12 ' A' ' 63' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.797 0.332 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.767 HG11 HD23 ' A' ' 26' ' ' LEU . 16.9 m -126.2 145.36 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.174 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.473 HD11 ' O ' ' A' ' 21' ' ' GLY . 6.1 tp -114.78 137.07 52.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.965 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 19' ' ' LYS . . . -73.43 151.27 41.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.628 HD11 ' HB2' ' A' ' 52' ' ' LYS . 55.7 mt -108.81 -43.39 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.659 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 44.6 m-85 -112.85 177.33 4.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -103.32 127.53 50.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.7 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.869 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ttt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.31 47.12 8.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.684 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . . . -90.73 160.43 38.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.601 0.715 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.4 Cg_endo -69.72 167.7 23.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.635 2.224 . . . . 0.0 112.384 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.92 43.86 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.656 2.238 . . . . 0.0 112.351 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 42' ' ' ARG . 13.0 m -139.19 135.64 41.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m -59.62 137.66 57.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.9 ptm -139.86 125.51 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -107.54 146.38 31.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.02 110.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.99 16.41 33.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -91.43 152.03 20.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.551 HG23 HD12 ' A' ' 62' ' ' LEU . 51.0 mt -99.25 121.26 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.487 HD22 HG21 ' A' ' 37' ' ' VAL . 5.0 mp -121.61 136.19 54.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.6 m -80.45 114.13 19.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.79 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -67.11 131.14 45.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.575 ' N ' HD13 ' A' ' 26' ' ' LEU . 77.5 mt -120.64 -48.41 2.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -143.45 138.55 29.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 m -131.65 35.62 3.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.0 p -60.08 -31.86 70.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -117.03 109.1 16.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 4.4 ptpp? -51.45 -28.24 12.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -74.91 -50.64 16.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -114.26 118.33 33.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.2 m0 -108.3 128.06 54.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -85.45 112.29 20.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.79 HG12 ' HA ' ' A' ' 26' ' ' LEU . 32.9 m -132.63 176.52 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.113 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -124.92 121.14 33.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.8 p -144.55 146.63 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 54.77 44.13 28.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 56.65 24.86 9.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.429 ' O ' HG11 ' A' ' 16' ' ' VAL . 9.5 tpt180 -136.01 130.75 34.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.44 138.69 40.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -174.69 -174.63 41.56 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -103.01 142.48 34.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.91 0.386 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -140.02 156.43 70.39 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.649 0.738 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 111.12 2.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.231 . . . . 0.0 112.305 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 32' ' ' LYS . . . -56.99 -23.85 49.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.82 -12.59 61.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -99.64 -22.55 15.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' A' ' 65' ' ' ALA . 17.2 m -119.26 -173.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.721 ' HD3' HD21 ' A' ' 66' ' ' LEU . 16.8 pttm -156.82 135.73 11.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.6 ' HG3' HG12 ' A' ' 63' ' ' VAL . 3.0 ttpm? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.551 HD12 HG23 ' A' ' 23' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.851 0.357 . . . . 0.0 110.908 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.788 HG11 HD23 ' A' ' 26' ' ' LEU . 10.4 m -129.78 138.79 53.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.1 tp -106.28 138.32 42.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.487 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -77.26 154.25 33.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.721 HD21 ' HD3' ' A' ' 52' ' ' LYS . 60.6 mt -115.18 -42.62 3.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.684 ' CD2' ' HB2' ' A' ' 3' ' ' ALA . 42.3 m-85 -111.34 170.78 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -95.68 125.4 40.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 78.8 t80 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.93 -179.836 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 tmm? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.795 0.331 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.08 48.13 3.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.446 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.775 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -94.9 160.34 31.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.721 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.9 Cg_endo -69.77 167.48 24.35 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.262 . . . . 0.0 112.328 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 147.2 62.86 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.414 HD23 ' HD2' ' A' ' 7' ' ' PRO . 1.6 mt -66.65 159.34 74.88 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.623 0.725 . . . . 0.0 110.935 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.414 ' HD2' HD23 ' A' ' 6' ' ' LEU . 53.1 Cg_endo -69.79 167.14 25.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.298 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -48.22 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.659 2.239 . . . . 0.0 112.327 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -89.39 -169.97 2.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -157.39 149.29 22.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.847 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.701 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . . . -51.7 -65.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.65 73.46 0.68 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.24 -146.05 9.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.8 mmt-85 -98.69 143.24 29.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -114.07 -173.47 2.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.559 HG13 ' HA3' ' A' ' 44' ' ' GLY . 26.1 m -137.95 130.97 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.1 m -62.12 137.44 58.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.431 ' HB3' HD21 ' A' ' 24' ' ' LEU . 7.3 ptm -132.01 147.29 52.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 30.1 mtmm -121.83 147.46 45.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.32 111.68 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.68 7.64 41.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -90.87 143.79 26.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.5 mt -98.76 108.11 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.451 HD22 HG21 ' A' ' 37' ' ' VAL . 5.1 mp -101.19 134.81 43.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.3 m -72.44 113.45 9.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.796 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -67.76 127.32 32.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.52 ' N ' HD13 ' A' ' 26' ' ' LEU . 95.8 mt -112.85 -52.94 2.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -141.29 139.08 33.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -131.29 27.32 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 43.7 p -51.72 -30.36 22.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -98.34 152.46 19.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -96.13 -0.88 49.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -119.81 -40.29 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -113.99 123.47 49.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.606 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.8 m0 -116.53 128.77 55.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -85.53 115.64 23.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.796 HG12 ' HA ' ' A' ' 26' ' ' LEU . 29.3 m -133.9 179.42 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -128.45 125.46 38.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.8 p -143.51 144.68 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 m120 54.74 38.02 29.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 63.46 27.2 15.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -132.35 136.19 46.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -104.41 135.93 44.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.559 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -170.38 -173.69 37.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.701 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 31.5 p90 -116.85 126.89 53.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -122.85 156.49 62.03 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.623 0.725 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 112.59 3.11 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.55 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -56.03 -27.95 55.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.79 -15.9 59.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.65 -20.99 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.552 HG12 ' HA ' ' A' ' 65' ' ' ALA . 24.6 m -116.24 -174.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.161 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.717 ' HB2' HD11 ' A' ' 66' ' ' LEU . 29.9 ttpt -162.39 125.78 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.564 ' HA ' HG12 ' A' ' 63' ' ' VAL . 26.9 pttt -51.85 148.1 6.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.878 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.508 HD12 ' CB ' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -123.16 97.77 5.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -130.2 69.42 1.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.8 m -73.75 -26.42 60.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.67 45.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 t -112.88 -32.37 6.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.81 0.338 . . . . 0.0 111.139 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.17 -48.46 1.13 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.425 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.44 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -52.34 145.32 11.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.734 0.302 . . . . 0.0 110.928 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -88.61 86.84 7.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 60' ' ' LYS . 1.6 pt? -126.95 148.74 50.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.717 HG11 HD23 ' A' ' 26' ' ' LEU . 16.3 m -127.77 142.57 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.508 ' CB ' HD12 ' A' ' 54' ' ' LEU . 1.6 tt -106.5 140.43 39.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.552 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -78.69 143.94 35.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' A' ' 52' ' ' LYS . 42.5 mt -104.5 -40.76 5.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.775 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 16.0 m-85 -123.72 144.26 49.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -71.12 135.91 47.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -144.57 148.72 34.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -142.42 137.93 30.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.8 mp0 -51.95 136.67 28.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -151.71 118.74 5.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.9 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.765 0.317 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.67 41.73 9.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.781 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -90.89 160.38 38.23 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.61 0.719 . . . . 0.0 111.108 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.4 Cg_endo -69.75 167.68 23.73 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 139.48 40.34 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.261 . . . . 0.0 112.347 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.445 HD23 ' HD2' ' A' ' 7' ' ' PRO . 0.9 OUTLIER -65.9 159.71 67.85 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.611 0.72 . . . . 0.0 110.91 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.445 ' HD2' HD23 ' A' ' 6' ' ' LEU . 53.3 Cg_endo -69.77 167.63 23.91 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -48.18 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.655 2.237 . . . . 0.0 112.34 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -88.08 -170.38 2.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.963 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.1 m -147.85 154.91 41.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.92 -25.27 68.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.15 -60.31 4.78 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.47 161.45 2.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.513 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -58.93 118.73 6.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 110.835 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -75.18 -174.99 2.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.435 HG11 ' O ' ' A' ' 42' ' ' ARG . 6.3 m -141.19 135.38 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.606 HG23 ' HA ' ' A' ' 70' ' ' GLN . 6.0 m -65.33 131.35 46.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.627 ' HE1' HG13 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -130.75 138.35 49.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.56 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 40.7 tptt -113.42 149.87 33.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -58.36 110.92 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.68 9.23 44.02 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -89.3 144.34 26.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.5 mt -96.16 113.74 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.185 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.481 HD22 HG21 ' A' ' 37' ' ' VAL . 4.8 mp -110.41 138.99 46.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 m -78.31 113.27 16.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.791 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -64.23 133.08 52.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.551 ' N ' HD13 ' A' ' 26' ' ' LEU . 92.0 mt -119.78 -50.56 2.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -142.03 138.29 31.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 p -135.53 26.6 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 t -52.55 -32.2 39.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.095 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -101.89 148.14 25.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -93.06 16.33 13.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.56 -41.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -114.17 112.02 22.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.579 ' CE3' HD21 ' A' ' 26' ' ' LEU . 6.5 m0 -108.62 124.43 50.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -85.42 121.13 27.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.791 HG12 ' HA ' ' A' ' 26' ' ' LEU . 23.7 m -137.6 179.26 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -127.21 121.79 32.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.6 p -144.49 146.64 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 56.38 37.07 28.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.29 24.87 14.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.435 ' O ' HG11 ' A' ' 16' ' ' VAL . 11.5 tpt180 -136.21 133.41 37.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -104.51 138.51 40.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.406 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -169.33 -176.09 39.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.473 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -107.6 125.91 51.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.899 0.38 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 m -123.44 156.29 64.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.723 . . . . 0.0 111.182 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 111.24 2.76 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.483 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -55.95 -25.14 42.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.16 -13.32 61.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -99.85 -22.54 15.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.627 HG13 ' HE1' ' A' ' 18' ' ' MET . 22.5 m -115.39 -177.73 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.075 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.777 ' HB2' HD11 ' A' ' 66' ' ' LEU . 45.0 tttt -163.15 134.91 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.6 ' HA ' HG12 ' A' ' 63' ' ' VAL . 53.9 mtmt -51.9 145.71 9.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.4 tp -131.45 110.75 11.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -137.59 133.03 33.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.2 m -112.4 -31.49 6.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.62 45.74 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.492 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 t -116.75 -24.83 7.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 111.118 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.08 -44.83 1.42 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.524 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 142.68 16.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -101.65 77.67 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.581 ' H ' HD23 ' A' ' 62' ' ' LEU . 1.5 pt? -105.82 156.51 18.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.611 HG11 HD23 ' A' ' 26' ' ' LEU . 18.5 m -130.19 146.11 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.6 tp -114.1 142.59 46.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 19' ' ' LYS . . . -75.85 144.99 40.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.777 HD11 ' HB2' ' A' ' 52' ' ' LYS . 33.0 mt -103.6 -40.89 6.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.781 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 34.1 m-85 -119.06 160.85 21.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -83.84 132.46 34.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -150.72 138.76 20.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.606 ' HA ' HG23 ' A' ' 17' ' ' THR . 2.0 pm0 -127.35 128.35 45.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -51.96 132.2 32.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -163.83 116.14 1.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.2 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.92 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 ptt? . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.796 0.332 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.14 42.66 6.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.686 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . . . -94.68 160.42 31.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.721 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.1 Cg_endo -69.76 167.71 23.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.343 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 139.75 41.14 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.728 2.285 . . . . 0.0 112.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.488 HD23 ' HD2' ' A' ' 7' ' ' PRO . 0.6 OUTLIER -64.61 160.05 55.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.65 0.738 . . . . 0.0 110.869 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.488 ' HD2' HD23 ' A' ' 6' ' ' LEU . 53.6 Cg_endo -69.82 167.71 23.73 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.298 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -48.3 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.305 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -87.51 -170.35 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.6 m -151.66 141.78 22.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.72 -41.56 61.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.38 -54.95 0.78 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.37 159.02 11.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -56.82 132.44 52.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.805 0.336 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -84.85 -175.11 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.427 HG13 ' HA3' ' A' ' 44' ' ' GLY . 14.9 m -138.56 135.13 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.7 m -60.97 118.45 6.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -124.22 147.26 48.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.852 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.57 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 21.4 ptmt -135.45 153.74 51.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 121.88 11.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.5 ' HA2' HD11 ' A' ' 64' ' ' LEU . . . 99.48 -5.21 58.6 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.526 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -82.27 143.85 31.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.1 mt -100.78 110.05 26.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.474 HD22 HG21 ' A' ' 37' ' ' VAL . 4.5 mp -104.68 140.2 38.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.1 m -80.77 113.64 19.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.193 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.804 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -63.11 134.74 56.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.578 ' N ' HD13 ' A' ' 26' ' ' LEU . 91.6 mt -123.21 -51.07 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -136.32 133.92 37.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.4 p -142.13 36.19 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.3 t -65.34 -24.59 67.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.168 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.06 -178.9 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -123.33 18.38 9.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -137.1 -41.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -114.06 113.61 24.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.523 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.4 m0 -112.85 130.75 55.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -91.25 122.59 34.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.931 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.804 HG12 ' HA ' ' A' ' 26' ' ' LEU . 22.9 m -139.23 176.92 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -125.04 123.25 39.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.9 p -144.53 146.71 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 55.8 37.42 28.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 t70 63.42 25.63 14.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.41 ' O ' HG11 ' A' ' 16' ' ' VAL . 11.4 tpt180 -134.81 131.93 38.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.47 129.72 52.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.427 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -164.08 -176.64 36.12 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -102.7 141.64 35.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.379 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 m -141.09 156.34 68.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.616 0.722 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 111.78 2.91 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.691 2.261 . . . . 0.0 112.359 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.584 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -55.84 -28.59 57.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.34 -16.3 59.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -96.77 -23.15 16.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.584 HG22 ' HA ' ' A' ' 48' ' ' ALA . 21.5 m -112.12 -178.05 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.467 ' HB2' HD11 ' A' ' 66' ' ' LEU . 11.2 ttmm -157.73 125.88 5.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.604 ' HA ' HG12 ' A' ' 63' ' ' VAL . 40.6 tttm -67.13 144.7 55.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.675 HD23 ' HA ' ' A' ' 63' ' ' VAL . 1.4 pt? -138.83 150.57 46.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -158.26 147.66 19.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.6 22.55 5.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.18 13.22 64.31 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.3 t -72.42 -24.13 61.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 111.163 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.57 -42.29 1.93 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.523 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -68.92 169.31 11.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.73 0.3 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -116.63 91.93 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.545 ' H ' HD23 ' A' ' 62' ' ' LEU . 1.2 pt? -108.34 151.7 25.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.793 HG11 HD23 ' A' ' 26' ' ' LEU . 16.5 m -135.04 146.86 29.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.5 HD11 ' HA2' ' A' ' 21' ' ' GLY . 2.4 tt -119.31 142.11 48.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 19' ' ' LYS . . . -76.94 139.98 40.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 52' ' ' LYS . 76.8 mt -99.55 -42.22 7.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.686 ' CD2' ' HB2' ' A' ' 3' ' ' ALA . 41.2 m-85 -111.52 167.66 10.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -91.4 129.4 37.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -144.08 144.31 31.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -114.36 160.27 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -72.05 139.78 48.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -119.43 46.97 1.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.924 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.805 0.336 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.12 48.47 5.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.734 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -93.49 160.43 33.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.2 Cg_endo -69.73 167.71 23.61 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 156.69 62.57 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.664 2.242 . . . . 0.0 112.374 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mt -79.32 159.2 73.03 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.625 0.726 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 167.65 23.75 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.674 2.249 . . . . 0.0 112.378 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -48.32 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -87.57 -170.01 2.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m -152.53 147.6 26.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.55 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . . . -51.7 -69.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 110.86 72.6 0.68 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.98 -144.04 6.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.492 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -105.08 137.42 42.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.778 0.323 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -104.48 -178.72 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.616 HG13 ' HA3' ' A' ' 44' ' ' GLY . 30.0 m -138.63 129.92 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.5 m -52.49 130.18 30.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.8 ptm -134.78 129.29 34.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -120.47 148.74 43.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.87 130.77 29.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.616 ' HA2' HD11 ' A' ' 64' ' ' LEU . . . 94.13 -7.94 72.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.476 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.65 130.92 35.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.321 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.7 mt -94.96 103.11 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.55 HD22 HG21 ' A' ' 37' ' ' VAL . 4.8 mp -94.31 142.84 26.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 m -77.28 111.65 13.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.795 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -63.45 135.13 56.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.58 ' N ' HD13 ' A' ' 26' ' ' LEU . 17.7 mt -124.38 -54.95 1.67 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.538 ' OD1' HG23 ' A' ' 30' ' ' THR . 1.7 t-20 -128.06 132.52 49.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.1 p -132.51 39.35 3.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.538 HG23 ' OD1' ' A' ' 28' ' ' ASN . 21.4 p -69.07 -60.23 2.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -74.07 150.42 40.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -94.27 17.95 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -135.06 -41.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -114.02 118.67 34.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.646 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.8 m0 -115.12 141.2 48.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -97.67 119.83 36.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.795 HG12 ' HA ' ' A' ' 26' ' ' LEU . 34.7 m -136.18 175.48 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -123.2 122.5 38.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.1 p -141.4 147.06 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.08 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 57.17 40.86 27.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 60.75 21.53 11.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -128.98 161.8 29.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -121.94 136.63 54.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.616 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -169.17 -176.93 39.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.55 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 33.8 p90 -112.31 142.16 45.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.876 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -138.72 156.56 72.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 113.27 3.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.461 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -56.95 -23.67 47.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.66 -12.0 60.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -101.97 -25.09 13.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.558 HG12 ' HA ' ' A' ' 65' ' ' ALA . 19.5 m -113.35 -178.21 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.628 ' HB2' HD11 ' A' ' 66' ' ' LEU . 1.2 ttmp? -162.93 136.88 6.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.627 ' HA ' HG12 ' A' ' 63' ' ' VAL . 19.0 ttpt -52.22 144.57 12.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.8 tp -128.78 90.57 3.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -128.07 126.31 40.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.2 m -121.71 27.43 8.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.57 -13.84 57.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.7 t -51.61 -30.15 20.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.884 0.373 . . . . 0.0 111.172 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.43 -44.53 1.75 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -51.9 163.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.744 0.307 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -110.47 86.94 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.28 149.98 47.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.666 HG11 HD23 ' A' ' 26' ' ' LEU . 18.6 m -127.96 145.36 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.616 HD11 ' HA2' ' A' ' 21' ' ' GLY . 3.3 tt -112.65 138.42 49.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.558 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -76.52 142.12 41.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.628 HD11 ' HB2' ' A' ' 52' ' ' LYS . 8.3 mt -100.0 -46.11 5.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.734 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 34.4 m-85 -110.2 164.51 12.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -91.83 119.87 32.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -124.42 146.46 48.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.5 155.04 41.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -61.38 111.04 1.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -102.71 42.73 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.869 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 ptt? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.814 0.34 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.29 43.72 9.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.709 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . . . -96.5 160.47 29.49 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.709 . . . . 0.0 111.112 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.1 Cg_endo -69.77 167.67 23.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 144.33 53.55 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.657 2.238 . . . . 0.0 112.325 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.45 159.24 61.19 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.624 0.726 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 167.59 24.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.23 . . . . 0.0 112.386 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -48.16 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.247 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -88.4 -170.06 2.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.4 t -148.6 150.18 32.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.84 -178.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.53 72.83 0.42 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.532 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.7 167.81 19.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 ptt-85 -53.87 158.36 2.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -112.55 -173.34 2.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.485 ' CG2' HG12 ' A' ' 39' ' ' VAL . 34.2 m -143.87 131.71 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 m -59.62 126.01 25.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.596 ' HE1' HG13 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -129.3 135.36 48.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.849 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -123.13 142.86 50.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -51.79 121.08 5.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.65 -10.27 32.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.471 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -89.88 139.33 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.321 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.524 HG21 HD12 ' A' ' 62' ' ' LEU . 33.2 mt -96.71 102.98 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.16 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.558 HD22 HG21 ' A' ' 37' ' ' VAL . 3.6 mp -88.76 140.8 29.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 m -76.01 108.27 8.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.789 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -62.04 133.41 55.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.571 ' N ' HD13 ' A' ' 26' ' ' LEU . 16.0 mt -123.2 -57.91 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.992 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -125.88 130.8 52.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 p -142.1 40.15 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.0 t -72.62 -25.4 61.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -99.83 179.94 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -123.79 25.52 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -141.61 -46.36 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -114.0 115.66 27.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.637 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.4 m0 -112.54 132.81 54.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -91.37 118.35 30.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.789 HG12 ' HA ' ' A' ' 26' ' ' LEU . 21.8 m -136.34 174.42 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -123.15 115.92 22.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.485 HG12 ' CG2' ' A' ' 16' ' ' VAL . 13.8 p -137.53 146.83 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 56.33 41.14 29.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 59.89 23.4 12.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.92 143.05 50.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -112.36 131.14 55.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.6 -177.92 41.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.527 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -98.66 156.31 16.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.39 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.5 m -153.92 155.91 31.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.641 0.734 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 111.7 2.88 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.695 2.264 . . . . 0.0 112.347 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.411 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -56.86 -24.21 49.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.43 -12.23 60.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.403 ' HB3' ' HE1' ' A' ' 18' ' ' MET . 3.7 m-85 -100.87 -24.26 14.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.637 HG12 ' HA ' ' A' ' 65' ' ' ALA . 29.1 m -111.54 179.89 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.91 134.12 6.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.643 ' HA ' HG12 ' A' ' 63' ' ' VAL . 52.2 mtmt -53.54 146.92 11.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.8 tt -130.9 90.18 2.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -141.75 116.6 9.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.1 m -100.94 26.35 7.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.42 30.8 8.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.6 p -93.9 -28.33 15.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 0.0 111.165 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.26 -43.75 1.63 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -52.05 156.36 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.68 0.276 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -110.7 80.22 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.524 HD12 HG21 ' A' ' 23' ' ' ILE . 1.8 pt? -120.51 147.55 45.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.692 HG11 HD23 ' A' ' 26' ' ' LEU . 17.8 m -130.04 141.7 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 tt -110.28 139.39 45.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.637 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -75.51 138.38 41.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.9 mt -96.62 -39.89 9.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.709 ' CD2' ' HB2' ' A' ' 3' ' ' ALA . 39.1 m-85 -114.85 179.14 4.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -101.46 129.6 47.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -144.4 149.47 36.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.92 160.5 24.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -68.19 125.15 25.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -102.46 85.48 2.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.929 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.816 0.341 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.52 45.73 13.29 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.446 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.699 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . . . -95.14 160.45 30.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 111.054 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.4 Cg_endo -69.8 167.57 24.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 146.53 60.44 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mt -73.44 159.19 85.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.601 0.715 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 167.52 24.25 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.708 2.272 . . . . 0.0 112.288 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -48.16 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -88.78 -169.96 2.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.6 t -145.22 154.0 41.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.61 -59.82 3.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.75 -79.79 0.37 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.524 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.26 172.12 0.35 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -53.91 134.18 42.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.749 0.309 . . . . 0.0 110.862 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -89.93 -173.27 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.57 HG13 ' HA3' ' A' ' 44' ' ' GLY . 6.3 m -144.0 135.84 22.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.8 m -66.23 144.88 56.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.7 ptm -148.74 148.28 29.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 35.6 ttpt -142.17 154.42 44.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 122.96 8.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.639 ' CA ' HD11 ' A' ' 64' ' ' LEU . . . 97.27 2.97 58.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.447 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -96.99 129.63 44.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.748 0.308 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 69.7 mt -90.82 135.71 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.578 HD22 HG21 ' A' ' 37' ' ' VAL . 4.0 mp -129.95 133.31 46.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.6 m -72.46 112.4 8.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.823 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -63.73 129.15 38.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.97 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.535 ' N ' HD13 ' A' ' 26' ' ' LEU . 86.5 mt -117.15 -50.94 2.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -138.7 135.98 35.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.1 p -138.01 25.68 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.9 p -59.54 -24.23 63.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.197 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -94.91 159.86 14.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -108.12 20.65 18.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -141.48 -44.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -114.03 121.88 45.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.537 ' CE3' HD21 ' A' ' 26' ' ' LEU . 6.8 m0 -113.09 128.87 56.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.951 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -86.58 113.94 22.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.823 HG12 ' HA ' ' A' ' 26' ' ' LEU . 21.7 m -130.07 175.16 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -120.86 118.86 31.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.5 p -140.71 147.11 23.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 58.68 38.65 25.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 62.39 19.3 11.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 mtp85 -128.47 163.58 24.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -123.02 136.16 54.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.57 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -168.75 -176.49 38.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -109.36 148.71 30.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.5 m -145.81 156.08 51.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.65 0.738 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 115.83 4.28 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.679 2.252 . . . . 0.0 112.305 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.2 -20.82 57.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' HB1' ' HG2' ' A' ' 4' ' ' PRO . . . -72.21 -8.88 57.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -105.85 -26.0 11.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.588 HG12 ' HA ' ' A' ' 65' ' ' ALA . 22.2 m -112.86 175.32 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.163 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.63 ' HB2' HD11 ' A' ' 66' ' ' LEU . 50.2 tttp -155.92 126.2 6.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HA ' HG12 ' A' ' 63' ' ' VAL . 11.3 pttp -51.84 147.77 6.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 tp -127.97 107.56 9.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -153.16 112.94 3.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.5 26.58 9.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.806 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.16 33.93 3.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.1 p -89.69 -38.83 13.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 111.159 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.53 -32.18 6.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.24 179.37 6.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.734 0.302 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -127.84 76.44 1.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.459 ' H ' HD23 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -114.45 149.83 35.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.755 HG11 HD23 ' A' ' 26' ' ' LEU . 16.3 m -122.33 159.82 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.639 HD11 ' CA ' ' A' ' 21' ' ' GLY . 12.8 tp -128.4 139.42 52.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.588 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -76.32 137.95 40.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.63 HD11 ' HB2' ' A' ' 52' ' ' LYS . 66.2 mt -97.92 -44.92 6.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.699 ' CD2' ' HB2' ' A' ' 3' ' ' ALA . 40.4 m-85 -108.5 176.18 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -100.92 122.97 44.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -130.22 144.2 51.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -119.99 142.96 48.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -66.11 126.63 29.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.6 21.86 7.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 56.7 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.901 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 ptt? . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.819 0.342 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.05 46.57 4.72 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.667 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -91.51 160.41 36.81 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.578 0.704 . . . . 0.0 111.122 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.2 Cg_endo -69.78 167.53 24.19 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.34 56.62 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.645 2.23 . . . . 0.0 112.326 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.61 159.21 62.8 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.643 0.735 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 167.0 25.8 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.305 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -88.48 -170.01 2.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.4 p -159.22 145.61 16.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.665 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . . . -51.65 -65.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.78 76.98 1.25 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.52 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.02 -172.12 39.78 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.519 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -56.28 143.8 32.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -125.75 -174.09 3.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.1 m -141.5 135.84 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 m -73.6 134.86 43.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.551 ' HG2' HG11 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -140.29 147.3 39.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.461 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 33.7 mtpt -137.14 157.22 47.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -51.5 117.25 2.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.597 ' CA ' HD11 ' A' ' 64' ' ' LEU . . . 100.95 6.95 51.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.471 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.555 ' O ' HD12 ' A' ' 64' ' ' LEU . 3.0 m-20 -97.8 134.87 40.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.766 0.317 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.8 mm -91.76 136.97 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 18' ' ' MET . 3.0 mp -135.75 129.28 32.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 83.9 m -71.56 119.59 15.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.813 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -69.68 130.94 43.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.566 ' N ' HD13 ' A' ' 26' ' ' LEU . 25.6 mt -117.71 -52.43 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -139.8 139.84 36.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 p -137.41 35.05 2.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.8 p -60.45 -43.85 96.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.144 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -82.45 148.06 28.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -93.67 18.02 10.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -136.4 -41.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -114.15 125.79 54.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.499 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.4 m0 -116.48 128.54 55.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -85.54 115.37 23.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.813 HG12 ' HA ' ' A' ' 26' ' ' LEU . 30.4 m -132.9 -179.55 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -130.14 120.86 25.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 p -139.96 147.11 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 56.71 43.44 25.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 58.47 21.8 8.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -127.62 157.03 41.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.67 146.83 44.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.4 -167.5 38.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.517 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.665 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 40.4 p90 -122.46 145.62 48.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.895 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.551 HG11 ' HG2' ' A' ' 18' ' ' MET . 3.3 m -139.56 156.13 71.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 117.52 5.13 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.343 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.96 -21.15 57.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.501 ' HB1' ' HG2' ' A' ' 4' ' ' PRO . . . -71.31 -9.71 58.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.145 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -106.07 -25.52 12.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.613 HG12 ' HA ' ' A' ' 65' ' ' ALA . 20.4 m -114.54 -178.7 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.638 ' HB2' HD11 ' A' ' 66' ' ' LEU . 34.9 ttmt -163.11 136.11 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.653 ' HA ' HG12 ' A' ' 63' ' ' VAL . 20.0 tttp -52.05 149.84 4.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.8 tt -133.19 98.27 4.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -135.49 117.44 15.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.4 m -101.51 26.52 7.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.44 -18.99 55.89 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 t -51.79 -29.81 20.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.842 0.353 . . . . 0.0 111.195 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.18 -27.84 18.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -51.96 143.85 12.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.705 0.288 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -104.43 86.39 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.97 151.07 48.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.653 HG12 ' HA ' ' A' ' 53' ' ' LYS . 17.2 m -123.33 152.24 28.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.597 HD11 ' CA ' ' A' ' 21' ' ' GLY . 17.6 tp -119.98 146.98 45.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.613 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -80.12 136.76 36.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.638 HD11 ' HB2' ' A' ' 52' ' ' LYS . 48.0 mt -96.8 -43.54 7.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.667 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 44.2 m-85 -110.43 -171.84 1.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -110.89 122.36 47.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -128.01 144.46 51.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -115.24 145.44 42.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -65.21 147.26 53.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.66 33.48 2.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.882 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.2 mtm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.779 0.323 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.48 44.5 41.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.649 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . . . -90.5 160.48 39.11 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.7 Cg_endo -69.76 167.71 23.66 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.248 . . . . 0.0 112.329 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 139.53 40.5 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.355 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.549 HD23 ' HD2' ' A' ' 7' ' ' PRO . 0.3 OUTLIER -65.03 160.67 54.44 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.636 0.731 . . . . 0.0 110.882 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.549 ' HD2' HD23 ' A' ' 6' ' ' LEU . 53.8 Cg_endo -69.78 167.74 23.59 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.731 2.288 . . . . 0.0 112.337 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -47.99 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.638 2.225 . . . . 0.0 112.334 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -87.62 -170.62 3.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.8 p -147.33 139.15 24.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.48 -30.52 30.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.39 -57.98 4.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.496 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.57 158.88 3.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.515 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -54.35 115.15 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.822 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -73.95 -176.29 2.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.6 m -140.28 135.06 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.586 HG23 ' HA ' ' A' ' 70' ' ' GLN . 5.8 m -62.33 132.41 52.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.2 ptm -130.45 111.78 12.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.494 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -95.15 146.1 24.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 116.19 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.19 12.41 54.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -90.04 137.44 32.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.761 0.315 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.6 mt -94.22 103.05 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.523 HD22 HG21 ' A' ' 37' ' ' VAL . 4.7 mp -97.67 132.42 43.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.9 m -71.3 109.57 5.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.811 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -62.08 123.56 18.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.47 ' N ' HD13 ' A' ' 26' ' ' LEU . 18.5 mt -108.88 -49.25 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -145.83 135.35 23.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 p -127.6 23.85 6.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 t -51.73 -31.8 27.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -92.97 174.49 7.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -114.24 -20.35 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -107.01 -35.75 6.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -113.96 120.03 39.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.517 ' CE3' HD21 ' A' ' 26' ' ' LEU . 4.8 m0 -117.57 132.7 56.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.54 119.93 29.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.811 HG12 ' HA ' ' A' ' 26' ' ' LEU . 33.7 m -139.74 173.14 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -123.55 120.66 33.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 p -143.63 146.67 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 54.83 44.01 29.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.6 t70 56.8 24.71 9.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -136.73 130.42 31.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -104.44 138.73 40.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.67 -175.06 41.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -99.13 144.45 28.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -143.11 156.52 61.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 108.88 2.18 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.634 2.223 . . . . 0.0 112.376 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.52 -24.32 45.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.04 -11.75 61.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -100.05 -23.14 14.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 65' ' ' ALA . 33.3 m -116.25 -179.23 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.78 ' HB2' HD11 ' A' ' 66' ' ' LEU . 21.3 ttmt -160.59 138.14 9.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.666 ' HA ' HG12 ' A' ' 63' ' ' VAL . 32.1 mtmm -57.28 145.41 32.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.653 HD12 ' HB2' ' A' ' 64' ' ' LEU . 4.4 tt -118.4 97.46 5.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -135.07 115.07 13.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 t -118.16 -30.2 5.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.31 38.75 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.7 t -115.21 -33.31 5.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.846 0.355 . . . . 0.0 111.167 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.86 -26.75 15.03 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -52.2 167.06 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.732 0.301 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -115.93 75.0 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.501 ' H ' HD23 ' A' ' 62' ' ' LEU . 1.7 pt? -123.98 149.84 45.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.666 HG12 ' HA ' ' A' ' 53' ' ' LYS . 18.8 m -127.71 141.47 46.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.653 ' HB2' HD12 ' A' ' 54' ' ' LEU . 7.3 tp -105.82 141.71 36.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.652 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -75.06 137.55 41.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.78 HD11 ' HB2' ' A' ' 52' ' ' LYS . 43.6 mt -98.52 -40.59 8.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.649 ' CD2' ' HB2' ' A' ' 3' ' ' ALA . 46.2 m-85 -115.78 170.72 8.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -94.81 121.3 36.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -148.46 148.42 30.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.586 ' HA ' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -122.24 158.87 28.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.42 129.02 38.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -107.06 79.65 1.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.913 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 ttp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.805 0.336 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.63 38.43 20.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.672 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . . . -87.64 160.39 47.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.589 0.709 . . . . 0.0 111.108 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.566 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.2 Cg_endo -69.76 167.75 23.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 139.54 40.37 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.633 2.222 . . . . 0.0 112.353 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.424 HD23 ' HD2' ' A' ' 7' ' ' PRO . 1.3 mt -67.87 159.49 78.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.424 ' HD2' HD23 ' A' ' 6' ' ' LEU . 53.9 Cg_endo -69.73 167.73 23.57 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.34 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -48.17 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.7 2.267 . . . . 0.0 112.33 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -87.65 -169.96 2.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.9 t -146.65 168.24 21.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.27 -40.41 67.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.09 -66.92 0.34 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.51 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.04 169.38 1.31 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -55.63 156.28 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -116.45 176.19 5.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.493 ' CG2' HG12 ' A' ' 39' ' ' VAL . 34.8 m -138.99 133.43 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.514 HG23 ' HA ' ' A' ' 70' ' ' GLN . 5.0 m -61.64 140.32 58.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.534 ' HE1' HG13 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -143.68 136.46 27.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.449 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 16.2 ptmt -121.24 144.54 48.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 126.14 17.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.535 ' HA2' HD11 ' A' ' 64' ' ' LEU . . . 105.6 -14.6 46.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.483 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -87.32 135.68 33.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.2 mt -94.98 104.16 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.725 HD22 ' HB ' ' A' ' 39' ' ' VAL . 3.5 mt -88.81 141.8 28.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 m -74.28 109.84 8.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.794 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.4 OUTLIER -64.02 118.54 8.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.1 mt -101.19 -51.65 3.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -148.94 140.14 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -129.87 33.03 4.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.9 p -51.51 -43.52 62.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.171 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.23 -179.25 7.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -113.29 -23.05 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -113.41 -23.46 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -114.0 112.04 22.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -116.34 131.26 56.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -91.78 120.45 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.794 HG12 ' HA ' ' A' ' 26' ' ' LEU . 34.9 m -135.12 177.96 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -122.52 121.31 36.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.725 ' HB ' HD22 ' A' ' 24' ' ' LEU . 14.0 p -144.5 146.71 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 56.41 40.78 29.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.29 23.05 11.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.442 ' O ' HG11 ' A' ' 16' ' ' VAL . 3.9 mmp_? -135.14 137.15 42.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -104.3 138.64 40.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -172.63 -176.41 41.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.497 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -100.47 151.74 21.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -151.24 156.49 35.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.585 0.707 . . . . 0.0 111.12 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 108.38 2.06 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.626 2.217 . . . . 0.0 112.386 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.509 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -54.86 -30.53 58.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.9 -17.72 57.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.072 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -93.55 -22.1 19.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.558 HG12 ' HA ' ' A' ' 65' ' ' ALA . 18.9 m -116.02 -173.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.093 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.644 ' HB2' HD11 ' A' ' 66' ' ' LEU . 16.6 ttmt -161.7 129.07 4.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.699 ' O ' HD22 ' A' ' 54' ' ' LEU . 19.1 pttp -68.07 132.65 47.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.699 HD22 ' O ' ' A' ' 53' ' ' LYS . 1.9 mm? -137.44 177.76 7.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -148.39 164.76 33.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 p -112.28 -26.13 8.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 124.99 31.99 0.83 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.549 HG23 ' H ' ' A' ' 60' ' ' LYS . 1.9 t -120.73 -32.28 4.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 111.131 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.88 -19.4 8.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.51 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.549 ' H ' HG23 ' A' ' 58' ' ' THR . 6.4 mptt -53.59 171.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.738 0.304 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -120.97 80.98 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.49 ' H ' HD23 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -108.49 153.25 23.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.681 HG11 HD23 ' A' ' 26' ' ' LEU . 16.9 m -131.81 136.81 56.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.535 HD11 ' HA2' ' A' ' 21' ' ' GLY . 1.3 tt -107.75 142.35 37.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.558 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -76.17 142.77 41.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.644 HD11 ' HB2' ' A' ' 52' ' ' LYS . 82.1 mt -103.71 -37.9 7.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.672 ' CD2' ' HB2' ' A' ' 3' ' ' ALA . 64.1 m-85 -115.43 -174.75 2.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -106.38 125.29 50.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -140.85 150.76 43.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.514 ' HA ' HG23 ' A' ' 17' ' ' THR . 2.9 pm0 -140.72 147.02 38.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -54.53 119.09 4.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -92.78 77.41 4.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 -179.885 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ttt . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.882 0.373 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.35 46.21 7.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.732 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -93.71 160.41 32.77 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.568 0.699 . . . . 0.0 111.096 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.2 Cg_endo -69.77 167.73 23.61 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.636 2.224 . . . . 0.0 112.369 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 145.6 57.35 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.636 2.224 . . . . 0.0 112.364 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.467 HD23 ' HD2' ' A' ' 7' ' ' PRO . 0.8 OUTLIER -69.34 159.84 81.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.911 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.467 ' HD2' HD23 ' A' ' 6' ' ' LEU . 53.7 Cg_endo -69.78 167.65 23.86 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.736 2.29 . . . . 0.0 112.325 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.32 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.641 2.228 . . . . 0.0 112.34 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -87.35 -172.05 3.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 m -146.74 141.32 26.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.96 -36.53 49.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.36 -52.06 1.59 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.6 167.04 5.45 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.87 121.74 16.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 0.0 110.885 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -73.13 -179.59 3.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.1 m -141.47 133.71 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.6 m -54.8 126.51 24.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.401 ' HB3' HD21 ' A' ' 24' ' ' LEU . 5.6 ptm -134.12 129.19 35.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 22.9 ttpt -122.96 147.86 46.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.06 130.55 30.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.696 ' HA2' HD21 ' A' ' 64' ' ' LEU . . . 92.08 -5.13 78.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.49 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -84.68 142.85 29.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.783 0.325 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 63.2 mt -98.89 113.27 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.543 HD22 HG21 ' A' ' 37' ' ' VAL . 4.5 mp -106.97 133.0 52.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 m -70.95 104.81 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.79 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.4 OUTLIER -59.97 132.65 54.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.608 ' N ' HD13 ' A' ' 26' ' ' LEU . 49.3 mt -124.23 -59.26 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -118.12 133.71 55.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.461 ' HB3' HD11 ' A' ' 26' ' ' LEU . 86.2 p -138.01 24.45 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.4 p -62.42 -36.69 83.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.179 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -85.6 178.35 7.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -120.31 -8.01 9.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -118.07 -37.63 3.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -114.02 118.38 33.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.601 ' CE3' HD21 ' A' ' 26' ' ' LEU . 5.9 m0 -116.98 143.21 45.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -98.7 122.67 42.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.79 HG12 ' HA ' ' A' ' 26' ' ' LEU . 33.1 m -139.85 171.99 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -122.24 114.6 21.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.8 p -137.09 146.77 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 55.74 42.98 28.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.2 t70 57.69 23.44 9.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.5 mmt-85 -134.88 131.73 37.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.34 138.67 40.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.89 -174.29 40.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -98.17 153.4 18.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.841 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -154.36 156.53 31.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.658 0.742 . . . . 0.0 111.103 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 108.09 2.0 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.7 2.266 . . . . 0.0 112.327 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.432 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -55.83 -25.4 41.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.08 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.73 -17.56 64.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -93.2 -25.47 17.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.566 HG12 ' HA ' ' A' ' 65' ' ' ALA . 19.2 m -112.84 -176.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.814 ' HB2' HD11 ' A' ' 66' ' ' LEU . 31.2 tttt -162.29 133.2 4.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.582 ' HA ' HG12 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -68.49 144.03 54.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 53' ' ' LYS . 1.8 mp -134.55 174.46 10.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -158.35 148.81 20.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.22 26.16 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.66 -27.75 11.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.526 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 t -51.79 -31.78 28.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 111.119 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.16 -19.71 47.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -55.59 176.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.33 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -114.15 74.14 0.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.544 ' H ' HD23 ' A' ' 62' ' ' LEU . 1.3 pt? -104.59 144.85 31.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.697 HG11 HD23 ' A' ' 26' ' ' LEU . 16.4 m -130.42 141.79 45.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.696 HD21 ' HA2' ' A' ' 21' ' ' GLY . 2.9 tp -113.25 148.79 34.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.566 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -79.36 144.45 34.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.814 HD11 ' HB2' ' A' ' 52' ' ' LYS . 19.5 mt -102.92 -45.28 5.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.732 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 42.4 m-85 -110.83 -178.68 3.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -103.72 129.36 51.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -144.63 148.65 34.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -125.35 157.98 35.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -87.87 128.31 35.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.03 48.77 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.4 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.867 -179.912 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 mmm . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.798 0.332 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.68 45.18 7.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.733 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -93.41 160.4 33.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.595 0.712 . . . . 0.0 111.098 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.8 Cg_endo -69.74 167.7 23.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.353 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 146.06 58.93 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mt -77.12 159.11 78.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.581 0.705 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 167.59 23.98 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.722 2.281 . . . . 0.0 112.343 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -48.2 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.645 2.23 . . . . 0.0 112.357 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -88.33 -170.01 2.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 m -150.74 151.88 33.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.77 -178.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.7 -78.44 1.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.19 161.73 2.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.93 160.73 1.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.774 0.321 . . . . 0.0 110.882 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -98.42 -177.69 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.485 HG11 ' O ' ' A' ' 42' ' ' ARG . 9.8 m -135.77 135.33 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 m -65.25 125.58 25.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.7 ptm -127.07 136.05 51.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.426 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 33.5 mtmt -125.55 147.27 49.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -51.77 112.36 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.698 ' HA2' HD11 ' A' ' 64' ' ' LEU . . . 107.17 6.84 33.64 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.469 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.4 ' O ' HD12 ' A' ' 64' ' ' LEU . 1.3 m-20 -96.99 138.94 33.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 110.86 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.8 mp -98.99 117.36 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.557 HD22 HG21 ' A' ' 37' ' ' VAL . 3.6 mp -109.57 142.55 40.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.0 m -79.92 109.31 14.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.806 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -61.09 133.61 56.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.961 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.665 HD13 ' HE3' ' A' ' 36' ' ' LYS . 11.0 mt -124.07 -54.1 1.72 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.559 ' OD1' HG23 ' A' ' 30' ' ' THR . 1.7 t-20 -128.9 131.55 47.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.405 ' HB3' HD11 ' A' ' 26' ' ' LEU . 87.7 p -133.23 39.72 3.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.559 HG23 ' OD1' ' A' ' 28' ' ' ASN . 25.7 p -68.25 -58.21 4.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -80.19 152.07 29.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -95.55 24.21 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -138.44 -43.45 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -113.95 110.09 19.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.626 ' CE3' HD21 ' A' ' 26' ' ' LEU . 6.7 m0 -108.2 138.9 43.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.665 ' HE3' HD13 ' A' ' 27' ' ' LEU . 2.4 tmmm? -96.89 122.06 39.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.806 HG12 ' HA ' ' A' ' 26' ' ' LEU . 24.9 m -140.01 172.99 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -124.06 115.18 20.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 p -138.14 146.72 26.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 55.51 42.62 29.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 58.06 24.04 10.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.485 ' O ' HG11 ' A' ' 16' ' ' VAL . 25.1 mmt180 -136.14 131.74 35.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -104.43 138.8 40.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.95 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.75 -175.32 38.72 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -107.53 125.55 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 m -122.46 156.69 60.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.633 0.73 . . . . 0.0 111.145 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 114.35 3.68 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.8 -20.14 54.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.48 -7.76 53.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -105.19 -24.88 12.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' ' 65' ' ' ALA . 18.0 m -114.31 -175.74 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.766 ' HB2' HD11 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -163.12 132.62 4.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.641 ' HA ' HG12 ' A' ' 63' ' ' VAL . 26.5 ttmt -51.85 149.51 4.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 tt -137.49 93.48 2.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -127.0 156.43 41.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.7 m -119.32 -36.13 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 132.45 42.09 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.464 HG23 ' H ' ' A' ' 60' ' ' LYS . 15.0 t -115.58 -30.74 6.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 111.113 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.94 -42.29 1.39 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.464 ' H ' HG23 ' A' ' 58' ' ' THR . 0.3 OUTLIER -52.07 144.13 12.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 0.0 110.853 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -116.52 97.41 5.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -131.68 151.47 51.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.756 HG11 HD23 ' A' ' 26' ' ' LEU . 16.8 m -126.09 152.75 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.698 HD11 ' HA2' ' A' ' 21' ' ' GLY . 16.3 tp -117.21 144.37 44.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.609 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -82.09 136.03 35.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.766 HD11 ' HB2' ' A' ' 52' ' ' LYS . 13.0 mt -96.54 -49.1 5.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.733 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 38.3 m-85 -108.16 168.7 9.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -95.15 122.42 37.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -131.72 149.52 52.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -115.67 160.68 19.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -76.8 92.89 3.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.61 46.12 27.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.891 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.791 0.329 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.0 42.23 11.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.753 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -93.4 160.35 33.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.546 0.689 . . . . 0.0 111.118 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.569 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.8 Cg_endo -69.73 167.74 23.52 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 139.86 41.26 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.653 2.235 . . . . 0.0 112.353 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.435 HD23 ' HD2' ' A' ' 7' ' ' PRO . 1.2 mt -64.66 159.6 60.06 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.674 0.75 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.435 ' HD2' HD23 ' A' ' 6' ' ' LEU . 53.6 Cg_endo -69.78 167.8 23.41 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.64 2.226 . . . . 0.0 112.385 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -42.08 3.65 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -86.46 -174.87 5.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.6 p -150.48 127.68 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.88 130.14 28.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.92 -34.33 89.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.9 156.5 53.44 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.51 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -58.72 160.68 5.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.748 0.308 . . . . 0.0 110.892 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -102.61 177.64 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.9 m -144.5 133.18 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 m -60.76 118.34 6.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.4 ptm -120.6 140.94 50.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -127.5 143.58 51.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 130.41 29.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.508 ' HA2' HD11 ' A' ' 64' ' ' LEU . . . 94.02 -6.99 73.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.528 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.49 138.02 31.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.778 0.323 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.448 HG21 HD12 ' A' ' 62' ' ' LEU . 31.0 mt -98.31 109.45 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.151 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.554 HD22 HG21 ' A' ' 37' ' ' VAL . 4.6 mp -95.92 141.17 29.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 m -73.88 104.92 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.799 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -60.49 135.09 57.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.589 ' N ' HD13 ' A' ' 26' ' ' LEU . 21.4 mt -127.59 -56.32 1.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -120.98 129.93 53.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.458 ' HB3' HD11 ' A' ' 26' ' ' LEU . 60.2 p -137.77 34.44 2.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.3 t -73.6 -35.45 65.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.16 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -86.26 169.56 12.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -114.56 12.24 17.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.57 -43.55 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -113.74 120.69 41.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.657 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.3 m0 -116.38 141.42 48.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.579 ' NZ ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -96.67 121.57 38.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.799 HG12 ' HA ' ' A' ' 26' ' ' LEU . 22.6 m -139.12 176.13 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -123.35 118.43 27.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -144.61 146.77 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 m120 59.0 38.47 24.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 62.0 17.51 9.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -135.89 137.81 41.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.58 154.63 20.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 174.5 -175.7 46.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -99.2 144.42 28.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 m -145.25 156.92 53.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.667 0.746 . . . . 0.0 111.111 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 110.42 2.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.487 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -57.76 -30.29 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.87 -16.74 59.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -93.2 -21.9 19.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.578 HG12 ' HA ' ' A' ' 65' ' ' ALA . 20.1 m -115.09 -174.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.675 ' HB2' HD11 ' A' ' 66' ' ' LEU . 36.4 tttp -162.49 131.43 4.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.645 ' HA ' HG12 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -52.24 142.91 15.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.5 tp -117.81 97.18 5.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -127.86 96.48 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.3 m -103.54 26.74 8.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.91 44.87 3.5 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.524 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.3 t -115.57 -32.55 5.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.831 0.348 . . . . 0.0 111.137 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.64 -26.07 17.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -59.78 178.13 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.751 0.31 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -121.72 69.93 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.504 ' H ' HD23 ' A' ' 62' ' ' LEU . 1.5 pt? -117.01 146.21 43.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.645 HG12 ' HA ' ' A' ' 53' ' ' LYS . 17.5 m -128.12 146.06 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.508 HD11 ' HA2' ' A' ' 21' ' ' GLY . 4.5 tt -110.61 139.32 45.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.578 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -78.03 140.78 39.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.675 HD11 ' HB2' ' A' ' 52' ' ' LYS . 54.2 mt -100.73 -44.66 5.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.753 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 34.7 m-85 -112.46 154.77 25.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -81.51 127.82 33.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -140.23 145.69 37.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -114.83 158.34 22.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.25 137.43 58.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -150.92 106.7 3.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.2 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.888 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ptt? . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.869 0.366 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.16 66.71 1.59 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.59 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . -102.26 160.34 26.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.701 . . . . 0.0 111.108 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.59 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.1 Cg_endo -69.74 167.68 23.72 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 144.14 53.42 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.273 . . . . 0.0 112.385 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.5 159.16 62.3 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.651 0.739 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 167.69 23.69 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -47.76 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.649 2.233 . . . . 0.0 112.38 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -87.37 -170.15 2.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.5 p -151.8 145.67 25.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.698 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . . . -63.19 -169.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.17 87.49 0.18 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.1 -137.91 4.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -114.16 148.1 37.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -100.57 -175.79 3.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.45 HG13 ' HA3' ' A' ' 44' ' ' GLY . 6.2 m -145.28 130.07 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -61.07 119.16 7.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.58 147.97 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.5 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 6.3 tppt? -121.14 144.07 48.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -56.98 107.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.33 14.03 29.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -93.03 144.09 25.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.77 0.319 . . . . 0.0 110.854 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 64.3 mt -92.99 110.34 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.538 HD22 HG21 ' A' ' 37' ' ' VAL . 4.5 mp -106.3 139.71 40.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.2 m -75.54 105.71 6.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.805 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -60.61 132.07 52.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.621 ' N ' HD13 ' A' ' 26' ' ' LEU . 29.0 mt -123.79 -56.15 1.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -122.83 131.29 53.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.525 ' HB3' HD11 ' A' ' 26' ' ' LEU . 92.1 p -138.21 31.4 2.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.0 p -69.82 -39.54 76.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -83.46 168.77 16.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -114.53 14.64 17.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.49 -44.43 0.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -114.05 119.65 37.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.531 ' CE3' HD21 ' A' ' 26' ' ' LEU . 6.7 m0 -113.81 140.2 48.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -95.92 120.92 37.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.805 HG12 ' HA ' ' A' ' 26' ' ' LEU . 30.1 m -139.99 170.66 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -119.67 119.93 35.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -143.02 146.73 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 55.61 42.98 28.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 57.57 23.64 9.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -135.66 132.71 37.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.34 138.65 40.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.45 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -171.58 -170.47 35.65 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.698 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 44.9 p90 -108.79 143.61 37.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.934 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.14 156.42 64.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.593 0.711 . . . . 0.0 111.179 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 111.66 2.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.302 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.55 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -56.82 -27.45 60.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.94 -15.11 61.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.053 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -97.91 -22.28 16.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.963 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.55 HG22 ' HA ' ' A' ' 48' ' ' ALA . 19.3 m -114.16 -175.68 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.807 ' HB3' HD21 ' A' ' 66' ' ' LEU . 26.6 tptt -161.07 125.23 3.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.521 ' HA ' HG12 ' A' ' 63' ' ' VAL . 16.1 ptpt -51.89 150.12 4.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 tp -135.53 95.96 3.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -137.4 137.22 38.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.7 m -104.81 -32.55 8.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.39 53.23 0.11 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.3 t -119.87 -34.47 3.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 111.189 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.87 -59.51 0.51 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -52.58 141.34 20.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.783 0.325 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -111.12 85.23 2.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.501 ' H ' HD23 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -108.97 153.53 23.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.769 HG11 HD23 ' A' ' 26' ' ' LEU . 16.9 m -127.96 148.02 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.6 tp -117.07 135.82 53.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 19' ' ' LYS . . . -73.23 153.15 40.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.807 HD21 ' HB3' ' A' ' 52' ' ' LYS . 21.5 mt -108.73 -46.69 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -119.62 147.06 44.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -66.03 139.19 58.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -159.08 149.14 19.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -138.71 160.67 39.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -52.05 144.85 11.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -118.74 39.56 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.903 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpt . . . . . 0 N--CA 1.458 -0.043 0 CA-C-O 120.8 0.333 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.54 44.7 4.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.719 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -87.86 160.38 46.92 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.609 0.719 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.1 Cg_endo -69.75 167.64 23.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 0.0 112.395 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 145.77 58.24 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.751 2.301 . . . . 0.0 112.319 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mt -65.76 159.16 71.01 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.635 0.731 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 167.73 23.6 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -48.05 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.73 2.287 . . . . 0.0 112.339 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -87.08 -173.34 4.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.1 t -146.09 152.75 39.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.406 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . . . -57.43 -69.21 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.084 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.17 62.76 0.46 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.64 -147.79 7.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -98.45 135.25 40.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.774 0.321 . . . . 0.0 110.915 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -95.92 -173.48 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.555 HG13 ' HA3' ' A' ' 44' ' ' GLY . 11.1 m -145.6 129.9 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.6 m -58.49 129.06 40.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.9 ptm -131.95 136.05 47.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -114.22 141.12 47.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -55.0 110.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.496 ' O ' HD11 ' A' ' 64' ' ' LEU . . . 107.4 7.19 32.71 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.496 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -93.09 136.29 33.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.343 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.6 mt -88.56 106.62 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.777 HD22 ' HB ' ' A' ' 39' ' ' VAL . 4.1 mt -100.01 134.05 43.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 m -67.21 107.38 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.752 HD23 HG11 ' A' ' 63' ' ' VAL . 0.5 OUTLIER -63.62 131.52 48.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.622 ' N ' HD13 ' A' ' 26' ' ' LEU . 16.7 mt -119.62 -56.9 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.39 135.97 50.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.536 ' OG ' HD11 ' A' ' 26' ' ' LEU . 12.5 m -140.0 37.72 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.4 t -76.91 -35.71 57.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -80.03 165.64 22.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -114.36 27.64 9.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -152.17 -45.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -114.03 115.85 28.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.499 ' CE3' HD21 ' A' ' 26' ' ' LEU . 6.7 m0 -108.54 143.45 37.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -96.07 116.14 28.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.728 HG12 ' HA ' ' A' ' 26' ' ' LEU . 31.0 m -132.71 175.57 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -125.15 115.4 20.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.777 ' HB ' HD22 ' A' ' 24' ' ' LEU . 14.7 p -131.83 146.75 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 55.76 41.33 30.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 59.27 24.35 12.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -130.79 144.69 51.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.46 138.27 41.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.555 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -174.05 -174.8 41.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.406 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 38.3 p90 -109.34 156.53 19.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 m -154.52 156.57 31.72 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.628 0.728 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 109.89 2.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.513 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -55.17 -28.57 53.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.67 -16.02 59.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.073 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -96.53 -26.19 15.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.513 HG22 ' HA ' ' A' ' 48' ' ' ALA . 19.3 m -111.42 -174.0 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.793 ' HB3' HD21 ' A' ' 66' ' ' LEU . 63.1 tttp -162.64 133.53 4.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.585 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.9 ttpm? -66.36 148.65 51.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 53' ' ' LYS . 1.4 mp -152.72 175.4 12.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.717 ' HA ' HD21 ' A' ' 62' ' ' LEU . 47.2 m-20 -147.23 152.84 39.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -110.22 20.91 17.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.13 18.79 58.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.449 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.499 HG23 ' H ' ' A' ' 60' ' ' LYS . 1.8 t -113.65 -31.25 6.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.804 0.335 . . . . 0.0 111.124 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.34 -14.94 54.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.499 ' H ' HG23 ' A' ' 58' ' ' THR . 0.1 OUTLIER -51.74 156.36 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 110.878 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -89.22 78.42 7.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.717 HD21 ' HA ' ' A' ' 55' ' ' ASP . 1.4 pt? -114.84 143.67 44.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.752 HG11 HD23 ' A' ' 26' ' ' LEU . 17.7 m -131.75 141.42 45.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.496 HD11 ' O ' ' A' ' 21' ' ' GLY . 4.5 tp -112.96 138.92 49.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.496 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -72.61 149.63 43.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.793 HD21 ' HB3' ' A' ' 52' ' ' LYS . 21.4 mt -106.84 -44.54 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.719 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 36.3 m-85 -113.23 173.49 6.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -93.86 133.87 36.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -154.75 135.59 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -123.09 146.59 47.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -52.81 121.64 7.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -98.26 26.98 4.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.7 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.907 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 mtt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.813 0.339 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.43 51.65 25.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.598 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . -93.07 160.44 33.59 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.579 0.704 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.598 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.7 Cg_endo -69.7 167.69 23.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.49 40.34 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mp -66.51 160.43 66.85 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.721 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 167.76 23.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -44.8 1.85 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.717 2.278 . . . . 0.0 112.362 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -85.59 -170.1 2.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 m -154.1 140.79 19.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.582 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . . . -57.52 -179.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.188 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.8 83.14 0.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 168.94 -154.67 24.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -102.44 128.61 48.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.83 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -81.5 -177.63 6.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.602 HG13 ' HA3' ' A' ' 44' ' ' GLY . 6.3 m -139.31 131.31 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 36.2 m -60.08 123.53 17.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.3 ptm -123.72 129.06 50.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -107.18 134.27 50.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -53.38 114.11 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.597 ' CA ' HD21 ' A' ' 64' ' ' LEU . . . 109.62 0.61 30.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.53 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -99.37 140.24 33.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.596 HG12 HD12 ' A' ' 64' ' ' LEU . 61.2 mt -89.71 130.84 38.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.79 HD22 ' HB ' ' A' ' 39' ' ' VAL . 4.5 mt -116.79 136.86 52.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 m -70.41 104.08 2.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.791 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -61.13 132.29 53.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.616 ' N ' HD13 ' A' ' 26' ' ' LEU . 21.8 mt -121.82 -57.78 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.439 ' OD1' HG22 ' A' ' 30' ' ' THR . 1.9 t-20 -126.87 132.52 50.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 p -141.42 26.06 1.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.439 HG22 ' OD1' ' A' ' 28' ' ' ASN . 5.9 t -63.14 -27.53 69.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.191 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -97.81 175.95 5.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.7 pttm -123.71 25.91 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.17 -60.98 0.94 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -113.93 112.66 23.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.456 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.6 m0 -98.54 137.03 37.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -91.2 116.81 29.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.791 HG12 ' HA ' ' A' ' 26' ' ' LEU . 32.5 m -134.85 174.91 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.086 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -121.72 115.63 23.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.79 ' HB ' HD22 ' A' ' 24' ' ' LEU . 14.9 p -134.4 146.74 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.194 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 55.92 41.98 29.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 58.2 23.69 10.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -131.16 145.66 52.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.53 138.27 41.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.602 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -172.97 -166.22 31.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 14.3 p90 -121.96 159.16 27.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 m -154.58 156.81 31.92 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.602 0.715 . . . . 0.0 111.139 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 115.68 4.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.244 . . . . 0.0 112.337 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.42 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -57.06 -22.89 42.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.503 ' HB1' ' HG2' ' A' ' 4' ' ' PRO . . . -69.2 -11.38 60.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -104.97 -25.92 12.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.964 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 65' ' ' ALA . 35.0 m -111.1 179.58 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.177 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.754 ' HB2' HD11 ' A' ' 66' ' ' LEU . 33.8 tttt -163.2 131.41 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.527 ' HA ' HG12 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -54.1 151.1 7.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.2 tp -132.94 104.59 6.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -158.3 150.41 21.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 t -115.66 -28.94 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 145.11 47.98 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.1 t -110.77 -24.73 10.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 0.0 111.166 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.5 -39.45 2.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -52.39 144.85 12.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.789 0.328 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -108.89 77.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.498 ' H ' HD23 ' A' ' 62' ' ' LEU . 1.4 pt? -115.47 142.54 46.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.664 HG11 HD23 ' A' ' 26' ' ' LEU . 15.1 m -125.55 156.13 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.597 HD21 ' CA ' ' A' ' 21' ' ' GLY . 1.1 tt -125.09 158.39 33.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.557 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -91.21 139.31 30.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 52' ' ' LYS . 41.9 mt -97.88 -47.42 5.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -108.87 -177.54 3.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.957 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -102.79 132.56 48.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -152.85 143.92 23.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -137.63 150.02 47.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -55.23 133.88 49.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -114.22 59.16 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.867 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.49 55.72 14.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.585 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . -92.51 160.45 34.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 111.114 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.585 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.6 Cg_endo -69.8 167.68 23.81 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 2.283 . . . . 0.0 112.32 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 139.35 39.98 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.661 2.241 . . . . 0.0 112.389 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.432 HD23 ' HD2' ' A' ' 7' ' ' PRO . 1.4 mt -65.88 159.47 69.46 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.582 0.706 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.432 ' HD2' HD23 ' A' ' 6' ' ' LEU . 53.7 Cg_endo -69.72 167.74 23.52 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -47.63 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.361 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -87.38 -170.11 2.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -149.46 139.41 21.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.2 129.47 42.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.082 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.23 -38.53 68.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.0 158.98 46.97 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.44 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.52 159.19 25.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 110.902 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -97.44 178.77 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.2 m -139.17 134.0 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.7 m -54.21 115.33 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.9 ptm -112.76 115.07 27.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.54 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 79.5 mttt -89.85 145.13 25.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -58.73 110.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.49 12.2 42.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -89.09 145.09 25.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.648 HG23 HD12 ' A' ' 62' ' ' LEU . 63.4 mt -93.17 108.07 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.464 HD22 HG21 ' A' ' 37' ' ' VAL . 4.5 mp -103.14 138.56 39.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.9 m -79.62 109.85 14.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.749 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -62.67 134.74 56.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.652 HD13 ' NZ ' ' A' ' 36' ' ' LYS . 21.7 mt -125.86 -48.33 1.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.969 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -134.37 132.87 39.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.5 p -140.3 28.2 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -59.86 -27.79 66.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.152 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -98.94 -175.98 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -125.09 -0.82 7.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -118.85 -41.2 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -113.98 117.81 32.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.62 ' CE3' HD21 ' A' ' 26' ' ' LEU . 6.1 m0 -116.7 136.17 53.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.652 ' NZ ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -95.16 122.23 37.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.958 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.749 HG12 ' HA ' ' A' ' 26' ' ' LEU . 19.8 m -139.96 176.26 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -125.68 117.19 22.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.6 p -137.65 146.69 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 56.46 41.74 28.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 59.07 22.59 10.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -131.03 134.64 46.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.42 138.58 40.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.56 -170.72 38.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -107.0 154.44 21.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.906 0.384 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 m -153.63 156.48 32.3 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.626 0.727 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 110.96 2.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.351 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.4 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -57.94 -24.7 59.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.6 -12.06 60.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -99.95 -19.38 16.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' A' ' 65' ' ' ALA . 19.1 m -120.55 -178.01 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.163 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.779 ' HB2' HD11 ' A' ' 66' ' ' LEU . 24.4 tttm -162.87 139.46 7.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.61 ' HA ' HG12 ' A' ' 63' ' ' VAL . 23.3 mtpp -53.07 149.69 6.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.7 tp -135.23 91.6 2.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -113.68 110.38 20.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 m -103.36 -29.8 10.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 134.83 37.88 0.2 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.0 t -91.2 -24.56 19.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 111.111 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.62 -42.78 1.84 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.533 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -84.25 172.17 12.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.759 0.314 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -110.34 103.73 12.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.648 HD12 HG23 ' A' ' 23' ' ' ILE . 1.4 pt? -124.12 157.88 33.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.61 HG12 ' HA ' ' A' ' 53' ' ' LYS . 17.8 m -127.72 148.77 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.5 tp -116.24 144.82 43.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.547 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -76.16 141.74 41.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.779 HD11 ' HB2' ' A' ' 52' ' ' LYS . 32.6 mt -100.51 -46.34 5.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -117.64 149.31 40.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -71.63 129.39 38.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -155.02 146.34 22.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -134.32 148.08 50.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -52.19 137.59 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.4 tttm 56.25 48.14 17.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.2 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 -179.904 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 tpt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.69 42.49 11.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.744 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -91.61 160.5 36.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.71 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.4 Cg_endo -69.77 167.68 23.74 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 139.4 40.17 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.727 2.285 . . . . 0.0 112.367 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.441 HD23 ' HD2' ' A' ' 7' ' ' PRO . 0.9 OUTLIER -66.37 159.67 71.04 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.626 0.727 . . . . 0.0 110.916 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.441 ' HD2' HD23 ' A' ' 6' ' ' LEU . 53.3 Cg_endo -69.8 167.71 23.71 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.293 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -48.2 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -87.99 -170.0 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.955 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 t -145.72 151.95 38.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.58 -35.27 60.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.48 -67.53 0.44 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.14 171.45 2.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.503 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.01 149.38 11.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.74 0.305 . . . . 0.0 110.857 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -102.8 174.76 5.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.475 HG13 ' HA3' ' A' ' 44' ' ' GLY . 34.2 m -138.31 132.07 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.6 m -62.14 134.38 56.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.543 ' HE1' HG13 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -142.93 136.51 28.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.588 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -127.61 152.56 47.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.36 122.66 10.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.53 ' HA2' HD21 ' A' ' 64' ' ' LEU . . . 103.29 -5.4 49.01 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.537 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -87.41 143.21 27.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.783 0.325 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mt -100.83 109.95 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 18' ' ' MET . 4.8 mp -103.75 134.95 46.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.9 m -72.16 111.73 7.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.748 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -73.99 128.34 35.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.483 HD12 HE22 ' A' ' 43' ' ' GLN . 33.7 mt -119.64 -51.2 2.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.53 139.22 49.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 p -151.16 36.54 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.6 t -66.42 -24.84 66.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -93.27 168.6 10.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -114.13 25.54 11.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -142.57 -47.73 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -113.96 126.62 55.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.47 ' CE3' HD21 ' A' ' 26' ' ' LEU . 10.5 m0 -116.54 131.3 56.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -86.55 114.63 23.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.748 HG12 ' HA ' ' A' ' 26' ' ' LEU . 14.8 m -138.41 176.12 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -128.48 120.56 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 p -137.18 146.49 27.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.0 m120 51.83 48.51 22.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 53.58 28.22 7.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -131.49 135.82 47.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.483 HE22 HD12 ' A' ' 27' ' ' LEU . 58.6 tp60 -104.49 136.86 43.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.475 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . 178.91 179.45 48.65 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.535 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -101.75 157.26 16.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.905 0.383 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.3 m -150.4 156.16 36.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.651 0.738 . . . . 0.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 114.98 3.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.06 -19.48 53.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.46 -6.57 49.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.47 ' CB ' ' HE1' ' A' ' 18' ' ' MET . 3.9 m-85 -107.31 -24.34 11.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.597 HG12 ' HA ' ' A' ' 65' ' ' ALA . 32.8 m -114.86 179.4 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.681 ' HB2' HD11 ' A' ' 66' ' ' LEU . 18.8 ttpt -161.37 135.28 6.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.576 ' HA ' HG12 ' A' ' 63' ' ' VAL . 13.2 pttt -51.83 147.84 6.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 tp -132.3 113.5 13.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -142.86 131.8 22.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.0 t -117.92 -29.57 5.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.3 48.41 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.459 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 t -117.02 -29.61 5.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 111.153 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.48 -21.44 44.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 178.13 0.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -122.7 75.9 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.43 ' H ' HD23 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -114.48 144.3 43.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.713 HG11 HD23 ' A' ' 26' ' ' LEU . 12.6 m -126.04 144.27 36.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.53 HD21 ' HA2' ' A' ' 21' ' ' GLY . 2.4 tp -111.68 148.02 34.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.597 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -78.03 144.94 36.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.681 HD11 ' HB2' ' A' ' 52' ' ' LYS . 54.1 mt -103.66 -39.43 6.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.744 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 48.1 m-85 -116.17 -172.9 2.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -108.36 129.56 55.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -145.94 147.18 31.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -145.29 128.46 16.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -52.01 131.78 31.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -116.48 98.47 6.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.1 p . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.91 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.796 0.331 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.7 37.99 6.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.662 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -86.71 160.41 50.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.708 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.0 Cg_endo -69.77 167.77 23.49 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.62 48.4 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.316 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.415 HD23 ' HD2' ' A' ' 7' ' ' PRO . 1.4 mt -69.41 159.51 83.17 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.415 ' HD2' HD23 ' A' ' 6' ' ' LEU . 53.9 Cg_endo -69.8 167.79 23.47 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.27 . . . . 0.0 112.365 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -48.01 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.362 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -87.52 -170.19 2.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -149.94 146.63 27.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.815 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.521 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . . . -51.81 -58.15 7.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.53 71.41 0.81 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.448 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.75 -149.05 11.96 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.495 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -103.9 151.84 22.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -118.13 -170.14 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.2 m -137.0 132.99 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 m -58.54 118.11 5.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.4 ptm -120.18 142.75 48.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.591 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 54.4 mttt -130.57 144.48 51.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.81 128.29 23.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.86 -3.75 67.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.49 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -86.31 145.13 27.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 60.9 mt -101.33 112.48 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.423 HD23 ' HB ' ' A' ' 39' ' ' VAL . 2.6 mp -104.31 133.69 48.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -70.61 108.68 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.775 HD22 HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -69.86 127.27 32.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.538 ' N ' HD13 ' A' ' 26' ' ' LEU . 30.4 mt -119.44 -54.92 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -121.7 130.96 53.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.437 ' HB3' HD11 ' A' ' 26' ' ' LEU . 10.5 p -139.96 33.69 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 t -69.76 -30.71 68.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.129 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.82 -179.99 6.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -123.67 -3.84 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -118.21 -45.67 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -113.87 122.88 48.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.602 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.3 m0 -116.97 144.87 44.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -98.02 118.79 35.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.775 HG12 HD22 ' A' ' 26' ' ' LEU . 13.4 m -139.91 175.3 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -126.5 111.96 15.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.423 ' HB ' HD23 ' A' ' 24' ' ' LEU . 14.1 p -128.85 146.74 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.6 m120 52.02 48.55 22.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 53.39 27.97 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -131.44 134.15 45.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.406 ' OE1' HD12 ' A' ' 27' ' ' LEU . 48.1 tp60 -104.37 134.28 47.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.98 -174.8 44.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.521 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 36.7 p90 -103.58 155.86 18.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -154.36 156.84 32.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.711 . . . . 0.0 111.133 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 116.51 4.59 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.369 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.53 -23.61 67.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.01 -10.88 60.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.063 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -100.13 -18.37 16.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.588 HG12 ' HA ' ' A' ' 65' ' ' ALA . 19.0 m -122.09 -175.85 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.711 ' HB2' HD11 ' A' ' 66' ' ' LEU . 25.0 ttmt -157.98 133.08 8.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.599 ' HA ' HG12 ' A' ' 63' ' ' VAL . 19.4 ttpp -66.01 146.85 54.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.513 HD22 ' N ' ' A' ' 64' ' ' LEU . 2.0 pt? -153.13 176.12 12.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -160.16 158.26 29.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -110.03 -31.84 7.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 150.54 -24.2 1.07 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.427 HG23 ' H ' ' A' ' 60' ' ' LYS . 2.3 t -56.81 -26.14 57.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.826 0.346 . . . . 0.0 111.152 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.62 -19.97 52.53 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.477 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.427 ' H ' HG23 ' A' ' 58' ' ' THR . 1.9 mmmp? -54.08 172.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.734 0.302 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -109.64 98.96 8.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.423 ' O ' HD23 ' A' ' 54' ' ' LEU . 0.8 OUTLIER -127.26 152.0 47.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.657 HG11 HD23 ' A' ' 26' ' ' LEU . 16.4 m -132.97 143.54 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.513 ' N ' HD22 ' A' ' 54' ' ' LEU . 4.4 tp -108.58 150.92 26.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 19' ' ' LYS . . . -84.34 142.46 30.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.066 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.711 HD11 ' HB2' ' A' ' 52' ' ' LYS . 44.2 mt -105.36 -45.45 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.662 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 34.3 m-85 -115.46 160.56 19.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -85.72 128.74 34.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -140.11 145.99 38.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -105.58 160.56 15.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -87.73 133.95 33.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -164.16 125.05 2.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 54.4 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.866 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.034 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.04 47.71 17.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.659 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -93.67 160.49 32.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 111.086 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.8 Cg_endo -69.8 167.78 23.51 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.627 2.218 . . . . 0.0 112.36 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.37 56.91 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.407 HD23 ' HD2' ' A' ' 7' ' ' PRO . 1.8 mt -64.48 159.31 60.9 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.642 0.734 . . . . 0.0 110.94 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.407 ' HD2' HD23 ' A' ' 6' ' ' LEU . 53.5 Cg_endo -69.73 167.73 23.55 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.32 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 -46.46 1.22 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -86.94 -170.19 2.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.2 t -151.98 132.77 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.859 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.74 131.84 30.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.14 -65.94 2.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.22 169.87 1.84 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.463 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -68.44 158.76 33.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -97.46 -179.01 4.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.502 HG13 ' HA3' ' A' ' 44' ' ' GLY . 16.3 m -144.43 134.28 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.499 HG23 ' HA ' ' A' ' 70' ' ' GLN . 7.3 m -58.03 137.78 56.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.6 ptm -132.93 137.8 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.461 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 9.3 ttpp -115.56 137.29 52.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -53.14 114.16 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.473 ' O ' HD11 ' A' ' 64' ' ' LEU . . . 103.25 6.88 44.37 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -95.1 133.38 38.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.781 0.324 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 72.0 mt -88.01 103.2 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.782 HD22 ' HB ' ' A' ' 39' ' ' VAL . 4.7 mt -92.55 139.79 30.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.947 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.9 m -73.7 107.92 6.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.793 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -64.66 124.89 23.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.51 ' N ' HD13 ' A' ' 26' ' ' LEU . 24.2 mt -111.39 -47.73 3.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -145.94 134.54 22.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.522 ' OG ' HD11 ' A' ' 26' ' ' LEU . 23.5 m -131.17 26.5 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 t -51.44 -30.38 19.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -96.62 177.64 5.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -117.12 -14.64 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -109.39 -37.01 5.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -114.03 118.29 33.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -117.12 132.03 56.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HE3' HD13 ' A' ' 27' ' ' LEU . 2.9 tmmm? -90.78 115.67 28.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.793 HG12 ' HA ' ' A' ' 26' ' ' LEU . 27.3 m -135.76 177.21 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.64 122.43 39.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.782 ' HB ' HD22 ' A' ' 24' ' ' LEU . 12.7 p -140.73 144.92 26.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 54.86 37.81 29.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.62 27.09 14.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.1 tpt85 -132.42 135.66 46.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -104.42 126.01 51.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.502 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -166.54 -172.22 33.58 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -104.36 156.33 18.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -154.18 156.57 31.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.623 0.725 . . . . 0.0 111.12 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 108.65 2.12 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.731 2.287 . . . . 0.0 112.342 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.492 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -55.14 -26.53 39.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.04 -19.28 65.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.091 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -92.23 -24.46 19.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.492 HG22 ' HA ' ' A' ' 48' ' ' ALA . 20.3 m -113.05 -174.53 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.628 ' HB2' HD11 ' A' ' 66' ' ' LEU . 9.5 tppt? -163.11 124.56 2.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.52 ' HA ' HG12 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -51.88 144.33 11.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.85 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 54' ' ' LEU . 6.7 tt -127.82 131.8 49.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -148.16 108.71 4.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 t -98.4 -31.11 12.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.833 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 140.5 52.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 t -113.12 -25.03 9.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 111.104 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.32 -34.69 5.57 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -70.14 -175.82 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.75 0.31 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -125.89 92.64 3.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.447 ' H ' HD23 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -118.47 149.41 41.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.767 HG11 HD23 ' A' ' 26' ' ' LEU . 16.9 m -126.2 145.36 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.174 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.473 HD11 ' O ' ' A' ' 21' ' ' GLY . 6.1 tp -114.78 137.07 52.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.965 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 19' ' ' LYS . . . -73.43 151.27 41.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.628 HD11 ' HB2' ' A' ' 52' ' ' LYS . 55.7 mt -108.81 -43.39 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.659 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 44.6 m-85 -112.85 177.33 4.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -103.32 127.53 50.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -144.77 145.43 31.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.499 ' HA ' HG23 ' A' ' 17' ' ' THR . 1.3 pm0 -136.4 119.63 16.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -58.69 140.03 55.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.33 43.07 17.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.863 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ttt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.31 47.12 8.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.684 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . . . -90.73 160.43 38.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.601 0.715 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.4 Cg_endo -69.72 167.7 23.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.635 2.224 . . . . 0.0 112.384 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.92 43.86 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.656 2.238 . . . . 0.0 112.351 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.557 HD23 ' HD2' ' A' ' 7' ' ' PRO . 0.4 OUTLIER -64.5 160.58 50.61 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.557 ' HD2' HD23 ' A' ' 6' ' ' LEU . 54.2 Cg_endo -69.73 167.66 23.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.244 . . . . 0.0 112.342 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.28 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.34 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -87.64 -170.09 2.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.0 t -145.49 157.63 43.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.33 179.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.05 65.42 0.29 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.53 -171.89 36.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.8 mtm-85 -77.44 139.88 39.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.789 0.328 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -88.18 -173.81 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 42' ' ' ARG . 13.0 m -139.19 135.64 41.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m -59.62 137.66 57.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.9 ptm -139.86 125.51 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -107.54 146.38 31.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.02 110.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.99 16.41 33.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -91.43 152.03 20.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.551 HG23 HD12 ' A' ' 62' ' ' LEU . 51.0 mt -99.25 121.26 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.487 HD22 HG21 ' A' ' 37' ' ' VAL . 5.0 mp -121.61 136.19 54.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.6 m -80.45 114.13 19.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.79 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -67.11 131.14 45.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.575 ' N ' HD13 ' A' ' 26' ' ' LEU . 77.5 mt -120.64 -48.41 2.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -143.45 138.55 29.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 m -131.65 35.62 3.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.0 p -60.08 -31.86 70.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -117.03 109.1 16.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 4.4 ptpp? -51.45 -28.24 12.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -74.91 -50.64 16.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -114.26 118.33 33.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.2 m0 -108.3 128.06 54.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -85.45 112.29 20.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.79 HG12 ' HA ' ' A' ' 26' ' ' LEU . 32.9 m -132.63 176.52 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.113 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -124.92 121.14 33.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.8 p -144.55 146.63 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 54.77 44.13 28.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 56.65 24.86 9.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.429 ' O ' HG11 ' A' ' 16' ' ' VAL . 9.5 tpt180 -136.01 130.75 34.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.44 138.69 40.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -174.69 -174.63 41.56 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -103.01 142.48 34.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.91 0.386 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -140.02 156.43 70.39 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.649 0.738 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 111.12 2.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.231 . . . . 0.0 112.305 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 32' ' ' LYS . . . -56.99 -23.85 49.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.82 -12.59 61.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -99.64 -22.55 15.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' A' ' 65' ' ' ALA . 17.2 m -119.26 -173.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.721 ' HD3' HD21 ' A' ' 66' ' ' LEU . 16.8 pttm -156.82 135.73 11.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.6 ' HG3' HG12 ' A' ' 63' ' ' VAL . 3.0 ttpm? -71.62 151.41 43.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.6 tp -119.41 133.04 55.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.477 ' O ' HG22 ' A' ' 58' ' ' THR . 37.7 m-20 -51.7 164.1 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.4 -25.21 19.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -52.77 -26.58 25.78 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 55' ' ' ASP . 4.4 t -73.57 -32.5 64.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 0.0 111.127 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.96 -79.05 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -126.3 -173.13 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.726 0.298 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.56 94.0 5.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.551 HD12 HG23 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -140.07 175.83 9.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.788 HG11 HD23 ' A' ' 26' ' ' LEU . 10.4 m -129.78 138.79 53.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.1 tp -106.28 138.32 42.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.487 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -77.26 154.25 33.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.721 HD21 ' HD3' ' A' ' 52' ' ' LYS . 60.6 mt -115.18 -42.62 3.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.684 ' CD2' ' HB2' ' A' ' 3' ' ' ALA . 42.3 m-85 -111.34 170.78 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -95.68 125.4 40.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -152.73 148.47 27.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.93 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -126.97 160.28 31.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -69.46 144.47 53.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp 52.71 53.96 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.4 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.869 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 tmm? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.795 0.331 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.08 48.13 3.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.446 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.775 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -94.9 160.34 31.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.721 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.9 Cg_endo -69.77 167.48 24.35 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.262 . . . . 0.0 112.328 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 147.2 62.86 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.623 0.725 . . . . 0.0 110.935 179.928 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.852 0.358 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.559 HG13 ' HA3' ' A' ' 44' ' ' GLY . 26.1 m -137.95 130.97 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.1 m -62.12 137.44 58.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.431 ' HB3' HD21 ' A' ' 24' ' ' LEU . 7.3 ptm -132.01 147.29 52.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 30.1 mtmm -121.83 147.46 45.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.32 111.68 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.68 7.64 41.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -90.87 143.79 26.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.5 mt -98.76 108.11 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.451 HD22 HG21 ' A' ' 37' ' ' VAL . 5.1 mp -101.19 134.81 43.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.3 m -72.44 113.45 9.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.796 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -67.76 127.32 32.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.52 ' N ' HD13 ' A' ' 26' ' ' LEU . 95.8 mt -112.85 -52.94 2.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -141.29 139.08 33.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -131.29 27.32 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 43.7 p -51.72 -30.36 22.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -98.34 152.46 19.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -96.13 -0.88 49.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -119.81 -40.29 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -113.99 123.47 49.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.606 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.8 m0 -116.53 128.77 55.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -85.53 115.64 23.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.796 HG12 ' HA ' ' A' ' 26' ' ' LEU . 29.3 m -133.9 179.42 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -128.45 125.46 38.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.537 HG22 HD22 ' A' ' 40' ' ' ASN . 11.8 p -143.51 144.68 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.537 HD22 HG22 ' A' ' 39' ' ' VAL . 1.5 m-80 54.74 38.02 29.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 63.46 27.2 15.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -132.35 136.19 46.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -104.41 135.93 44.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.559 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -170.38 -173.69 37.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -116.85 126.89 53.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -122.85 156.49 62.03 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.623 0.725 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 112.59 3.11 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.55 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -56.03 -27.95 55.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.79 -15.9 59.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.65 -20.99 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.552 HG12 ' HA ' ' A' ' 65' ' ' ALA . 24.6 m -116.24 -174.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.161 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.717 ' HB2' HD11 ' A' ' 66' ' ' LEU . 29.9 ttpt -162.39 125.78 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.564 ' HA ' HG12 ' A' ' 63' ' ' VAL . 26.9 pttt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.878 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.901 0.382 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.717 HG11 HD23 ' A' ' 26' ' ' LEU . 16.3 m -127.77 142.57 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 tt -106.5 140.43 39.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.552 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -78.69 143.94 35.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' A' ' 52' ' ' LYS . 42.5 mt -104.5 -40.76 5.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.775 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 16.0 m-85 -123.72 144.26 49.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -71.12 135.91 47.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.4 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.805 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.765 0.317 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.67 41.73 9.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.781 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -90.89 160.38 38.23 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.61 0.719 . . . . 0.0 111.108 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.4 Cg_endo -69.75 167.68 23.73 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 139.48 40.34 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.261 . . . . 0.0 112.347 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 121.611 0.72 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.435 HG11 ' O ' ' A' ' 42' ' ' ARG . 6.3 m -141.19 135.38 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 m -65.33 131.35 46.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.627 ' HE1' HG13 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -130.75 138.35 49.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.56 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 40.7 tptt -113.42 149.87 33.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -58.36 110.92 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.68 9.23 44.02 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -89.3 144.34 26.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.5 mt -96.16 113.74 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.185 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.481 HD22 HG21 ' A' ' 37' ' ' VAL . 4.8 mp -110.41 138.99 46.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 m -78.31 113.27 16.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.791 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -64.23 133.08 52.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.551 ' N ' HD13 ' A' ' 26' ' ' LEU . 92.0 mt -119.78 -50.56 2.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -142.03 138.29 31.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 p -135.53 26.6 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 t -52.55 -32.2 39.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.095 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -101.89 148.14 25.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -93.06 16.33 13.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.56 -41.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -114.17 112.02 22.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.579 ' CE3' HD21 ' A' ' 26' ' ' LEU . 6.5 m0 -108.62 124.43 50.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -85.42 121.13 27.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.791 HG12 ' HA ' ' A' ' 26' ' ' LEU . 23.7 m -137.6 179.26 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -127.21 121.79 32.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.6 p -144.49 146.64 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 56.38 37.07 28.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.29 24.87 14.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.435 ' O ' HG11 ' A' ' 16' ' ' VAL . 11.5 tpt180 -136.21 133.41 37.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -104.51 138.51 40.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.406 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -169.33 -176.09 39.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.473 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -107.6 125.91 51.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.899 0.38 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 m -123.44 156.29 64.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.723 . . . . 0.0 111.182 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 111.24 2.76 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.483 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -55.95 -25.14 42.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.16 -13.32 61.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -99.85 -22.54 15.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.627 HG13 ' HE1' ' A' ' 18' ' ' MET . 22.5 m -115.39 -177.73 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.075 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.777 ' HB2' HD11 ' A' ' 66' ' ' LEU . 45.0 tttt -163.15 134.91 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.6 ' HA ' HG12 ' A' ' 63' ' ' VAL . 53.9 mtmt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.804 0.335 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.611 HG11 HD23 ' A' ' 26' ' ' LEU . 18.5 m -130.19 146.11 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.6 tp -114.1 142.59 46.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 19' ' ' LYS . . . -75.85 144.99 40.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.777 HD11 ' HB2' ' A' ' 52' ' ' LYS . 33.0 mt -103.6 -40.89 6.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.781 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 34.1 m-85 -119.06 160.85 21.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -83.84 132.46 34.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 55.2 t80 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.849 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 ptt? . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.796 0.332 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.14 42.66 6.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.686 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . . . -94.68 160.42 31.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.721 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.1 Cg_endo -69.76 167.71 23.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.343 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 139.75 41.14 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.728 2.285 . . . . 0.0 112.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.65 0.738 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.925 0.393 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.427 HG13 ' HA3' ' A' ' 44' ' ' GLY . 14.9 m -138.56 135.13 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.7 m -60.97 118.45 6.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -124.22 147.26 48.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.852 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.57 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 21.4 ptmt -135.45 153.74 51.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 121.88 11.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.5 ' HA2' HD11 ' A' ' 64' ' ' LEU . . . 99.48 -5.21 58.6 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.526 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -82.27 143.85 31.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.1 mt -100.78 110.05 26.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.474 HD22 HG21 ' A' ' 37' ' ' VAL . 4.5 mp -104.68 140.2 38.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.1 m -80.77 113.64 19.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.193 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.804 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -63.11 134.74 56.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.578 ' N ' HD13 ' A' ' 26' ' ' LEU . 91.6 mt -123.21 -51.07 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -136.32 133.92 37.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.4 p -142.13 36.19 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.3 t -65.34 -24.59 67.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.168 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.06 -178.9 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -123.33 18.38 9.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -137.1 -41.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -114.06 113.61 24.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.523 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.4 m0 -112.85 130.75 55.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -91.25 122.59 34.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.931 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.804 HG12 ' HA ' ' A' ' 26' ' ' LEU . 22.9 m -139.23 176.92 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -125.04 123.25 39.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.9 p -144.53 146.71 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 55.8 37.42 28.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 t70 63.42 25.63 14.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.41 ' O ' HG11 ' A' ' 16' ' ' VAL . 11.4 tpt180 -134.81 131.93 38.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -104.47 129.72 52.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.427 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -164.08 -176.64 36.12 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -102.7 141.64 35.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.379 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 m -141.09 156.34 68.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.616 0.722 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 111.78 2.91 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.691 2.261 . . . . 0.0 112.359 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.584 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -55.84 -28.59 57.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.34 -16.3 59.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -96.77 -23.15 16.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.584 HG22 ' HA ' ' A' ' 48' ' ' ALA . 21.5 m -112.12 -178.05 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.467 ' HB2' HD11 ' A' ' 66' ' ' LEU . 11.2 ttmm -157.73 125.88 5.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.604 ' HA ' HG12 ' A' ' 63' ' ' VAL . 40.6 tttm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.807 0.337 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.793 HG11 HD23 ' A' ' 26' ' ' LEU . 16.5 m -135.04 146.86 29.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.5 HD11 ' HA2' ' A' ' 21' ' ' GLY . 2.4 tt -119.31 142.11 48.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 19' ' ' LYS . . . -76.94 139.98 40.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 52' ' ' LYS . 76.8 mt -99.55 -42.22 7.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.686 ' CD2' ' HB2' ' A' ' 3' ' ' ALA . 41.2 m-85 -111.52 167.66 10.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -91.4 129.4 37.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.5 t80 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.778 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.805 0.336 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.12 48.47 5.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.734 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -93.49 160.43 33.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.2 Cg_endo -69.73 167.71 23.61 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 156.69 62.57 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.664 2.242 . . . . 0.0 112.374 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 121.625 0.726 . . . . 0.0 110.871 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.892 0.377 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.616 HG13 ' HA3' ' A' ' 44' ' ' GLY . 30.0 m -138.63 129.92 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.5 m -52.49 130.18 30.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.8 ptm -134.78 129.29 34.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -120.47 148.74 43.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.87 130.77 29.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.616 ' HA2' HD11 ' A' ' 64' ' ' LEU . . . 94.13 -7.94 72.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.476 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.65 130.92 35.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.321 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.7 mt -94.96 103.11 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.55 HD22 HG21 ' A' ' 37' ' ' VAL . 4.8 mp -94.31 142.84 26.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 m -77.28 111.65 13.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.795 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -63.45 135.13 56.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.58 ' N ' HD13 ' A' ' 26' ' ' LEU . 17.7 mt -124.38 -54.95 1.67 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.538 ' OD1' HG23 ' A' ' 30' ' ' THR . 1.7 t-20 -128.06 132.52 49.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.1 p -132.51 39.35 3.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.538 HG23 ' OD1' ' A' ' 28' ' ' ASN . 21.4 p -69.07 -60.23 2.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -74.07 150.42 40.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -94.27 17.95 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -135.06 -41.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -114.02 118.67 34.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.646 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.8 m0 -115.12 141.2 48.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -97.67 119.83 36.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.795 HG12 ' HA ' ' A' ' 26' ' ' LEU . 34.7 m -136.18 175.48 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -123.2 122.5 38.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.1 p -141.4 147.06 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.08 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 57.17 40.86 27.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 60.75 21.53 11.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -128.98 161.8 29.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -121.94 136.63 54.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.616 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -169.17 -176.93 39.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -112.31 142.16 45.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -138.72 156.56 72.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 113.27 3.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.461 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -56.95 -23.67 47.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.66 -12.0 60.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -101.97 -25.09 13.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.558 HG12 ' HA ' ' A' ' 65' ' ' ALA . 19.5 m -113.35 -178.21 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.628 ' HB2' HD11 ' A' ' 66' ' ' LEU . 1.2 ttmp? -162.93 136.88 6.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.627 ' HA ' HG12 ' A' ' 63' ' ' VAL . 19.0 ttpt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.898 0.38 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.666 HG11 HD23 ' A' ' 26' ' ' LEU . 18.6 m -127.96 145.36 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.616 HD11 ' HA2' ' A' ' 21' ' ' GLY . 3.3 tt -112.65 138.42 49.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.558 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -76.52 142.12 41.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.628 HD11 ' HB2' ' A' ' 52' ' ' LYS . 8.3 mt -100.0 -46.11 5.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.734 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 34.4 m-85 -110.2 164.51 12.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -91.83 119.87 32.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 50.9 t80 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.85 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 ptt? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.814 0.34 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.29 43.72 9.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.709 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . . . -96.5 160.47 29.49 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.709 . . . . 0.0 111.112 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.1 Cg_endo -69.77 167.67 23.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 144.33 53.55 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.657 2.238 . . . . 0.0 112.325 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.624 0.726 . . . . 0.0 110.907 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.914 0.388 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.485 ' CG2' HG12 ' A' ' 39' ' ' VAL . 34.2 m -143.87 131.71 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 m -59.62 126.01 25.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.596 ' HE1' HG13 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -129.3 135.36 48.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.849 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -123.13 142.86 50.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -51.79 121.08 5.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.65 -10.27 32.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.471 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -89.88 139.33 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.321 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.524 HG21 HD12 ' A' ' 62' ' ' LEU . 33.2 mt -96.71 102.98 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.16 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.558 HD22 HG21 ' A' ' 37' ' ' VAL . 3.6 mp -88.76 140.8 29.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 m -76.01 108.27 8.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.789 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -62.04 133.41 55.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.571 ' N ' HD13 ' A' ' 26' ' ' LEU . 16.0 mt -123.2 -57.91 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.992 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -125.88 130.8 52.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 p -142.1 40.15 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.0 t -72.62 -25.4 61.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -99.83 179.94 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -123.79 25.52 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -141.61 -46.36 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -114.0 115.66 27.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.637 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.4 m0 -112.54 132.81 54.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -91.37 118.35 30.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.789 HG12 ' HA ' ' A' ' 26' ' ' LEU . 21.8 m -136.34 174.42 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -123.15 115.92 22.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.485 HG12 ' CG2' ' A' ' 16' ' ' VAL . 13.8 p -137.53 146.83 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 56.33 41.14 29.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 59.89 23.4 12.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.92 143.05 50.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -112.36 131.14 55.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.6 -177.92 41.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.527 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -98.66 156.31 16.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.39 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.5 m -153.92 155.91 31.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.641 0.734 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 111.7 2.88 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.695 2.264 . . . . 0.0 112.347 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.411 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -56.86 -24.21 49.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.43 -12.23 60.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.403 ' HB3' ' HE1' ' A' ' 18' ' ' MET . 3.7 m-85 -100.87 -24.26 14.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.637 HG12 ' HA ' ' A' ' 65' ' ' ALA . 29.1 m -111.54 179.89 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.91 134.12 6.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.643 ' HA ' HG12 ' A' ' 63' ' ' VAL . 52.2 mtmt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.524 HD12 HG21 ' A' ' 23' ' ' ILE . 1.8 pt? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.692 HG11 HD23 ' A' ' 26' ' ' LEU . 17.8 m -130.04 141.7 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 tt -110.28 139.39 45.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.637 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -75.51 138.38 41.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.9 mt -96.62 -39.89 9.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.709 ' CD2' ' HB2' ' A' ' 3' ' ' ALA . 39.1 m-85 -114.85 179.14 4.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -101.46 129.6 47.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.0 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.816 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.816 0.341 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.52 45.73 13.29 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.446 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.699 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . . . -95.14 160.45 30.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 111.054 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.4 Cg_endo -69.8 167.57 24.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 146.53 60.44 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.601 0.715 . . . . 0.0 110.892 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.831 0.348 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.57 HG13 ' HA3' ' A' ' 44' ' ' GLY . 6.3 m -144.0 135.84 22.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.8 m -66.23 144.88 56.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.7 ptm -148.74 148.28 29.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 35.6 ttpt -142.17 154.42 44.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 122.96 8.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.639 ' CA ' HD11 ' A' ' 64' ' ' LEU . . . 97.27 2.97 58.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.447 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -96.99 129.63 44.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.748 0.308 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 69.7 mt -90.82 135.71 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.578 HD22 HG21 ' A' ' 37' ' ' VAL . 4.0 mp -129.95 133.31 46.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.6 m -72.46 112.4 8.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.823 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -63.73 129.15 38.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.97 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.535 ' N ' HD13 ' A' ' 26' ' ' LEU . 86.5 mt -117.15 -50.94 2.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -138.7 135.98 35.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.1 p -138.01 25.68 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.9 p -59.54 -24.23 63.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.197 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -94.91 159.86 14.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -108.12 20.65 18.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -141.48 -44.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -114.03 121.88 45.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.537 ' CE3' HD21 ' A' ' 26' ' ' LEU . 6.8 m0 -113.09 128.87 56.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.951 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -86.58 113.94 22.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.823 HG12 ' HA ' ' A' ' 26' ' ' LEU . 21.7 m -130.07 175.16 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -120.86 118.86 31.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.5 p -140.71 147.11 23.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 58.68 38.65 25.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 62.39 19.3 11.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 mtp85 -128.47 163.58 24.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -123.02 136.16 54.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.57 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -168.75 -176.49 38.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -109.36 148.71 30.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.5 m -145.81 156.08 51.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.65 0.738 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 115.83 4.28 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.679 2.252 . . . . 0.0 112.305 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.2 -20.82 57.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.449 ' HB1' ' HG2' ' A' ' 4' ' ' PRO . . . -72.21 -8.88 57.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -105.85 -26.0 11.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.588 HG12 ' HA ' ' A' ' 65' ' ' ALA . 22.2 m -112.86 175.32 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.163 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.63 ' HB2' HD11 ' A' ' 66' ' ' LEU . 50.2 tttp -155.92 126.2 6.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HA ' HG12 ' A' ' 63' ' ' VAL . 11.3 pttp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.871 0.367 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.755 HG11 HD23 ' A' ' 26' ' ' LEU . 16.3 m -122.33 159.82 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.639 HD11 ' CA ' ' A' ' 21' ' ' GLY . 12.8 tp -128.4 139.42 52.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.588 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -76.32 137.95 40.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.63 HD11 ' HB2' ' A' ' 52' ' ' LYS . 66.2 mt -97.92 -44.92 6.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.699 ' CD2' ' HB2' ' A' ' 3' ' ' ALA . 40.4 m-85 -108.5 176.18 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -100.92 122.97 44.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 31.8 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 -179.892 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 ptt? . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.819 0.342 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.05 46.57 4.72 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.667 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -91.51 160.41 36.81 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.578 0.704 . . . . 0.0 111.122 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.2 Cg_endo -69.78 167.53 24.19 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.34 56.62 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.645 2.23 . . . . 0.0 112.326 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.643 0.735 . . . . 0.0 110.897 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.86 0.362 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.1 m -141.5 135.84 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 m -73.6 134.86 43.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.551 ' HG2' HG11 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -140.29 147.3 39.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.461 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 33.7 mtpt -137.14 157.22 47.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -51.5 117.25 2.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.597 ' CA ' HD11 ' A' ' 64' ' ' LEU . . . 100.95 6.95 51.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.471 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.555 ' O ' HD12 ' A' ' 64' ' ' LEU . 3.0 m-20 -97.8 134.87 40.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.766 0.317 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.8 mm -91.76 136.97 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 18' ' ' MET . 3.0 mp -135.75 129.28 32.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 83.9 m -71.56 119.59 15.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.813 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -69.68 130.94 43.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.566 ' N ' HD13 ' A' ' 26' ' ' LEU . 25.6 mt -117.71 -52.43 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -139.8 139.84 36.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 p -137.41 35.05 2.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.8 p -60.45 -43.85 96.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.144 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -82.45 148.06 28.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -93.67 18.02 10.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -136.4 -41.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -114.15 125.79 54.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.499 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.4 m0 -116.48 128.54 55.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -85.54 115.37 23.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.813 HG12 ' HA ' ' A' ' 26' ' ' LEU . 30.4 m -132.9 -179.55 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -130.14 120.86 25.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 p -139.96 147.11 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 56.71 43.44 25.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 58.47 21.8 8.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -127.62 157.03 41.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.67 146.83 44.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.4 -167.5 38.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.517 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -122.46 145.62 48.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.551 HG11 ' HG2' ' A' ' 18' ' ' MET . 3.3 m -139.56 156.13 71.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 117.52 5.13 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.343 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.96 -21.15 57.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.501 ' HB1' ' HG2' ' A' ' 4' ' ' PRO . . . -71.31 -9.71 58.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.145 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -106.07 -25.52 12.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.613 HG12 ' HA ' ' A' ' 65' ' ' ALA . 20.4 m -114.54 -178.7 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.638 ' HB2' HD11 ' A' ' 66' ' ' LEU . 34.9 ttmt -163.11 136.11 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.653 ' HA ' HG12 ' A' ' 63' ' ' VAL . 20.0 tttp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.653 HG12 ' HA ' ' A' ' 53' ' ' LYS . 17.2 m -123.33 152.24 28.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.597 HD11 ' CA ' ' A' ' 21' ' ' GLY . 17.6 tp -119.98 146.98 45.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.613 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -80.12 136.76 36.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.638 HD11 ' HB2' ' A' ' 52' ' ' LYS . 48.0 mt -96.8 -43.54 7.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.667 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 44.2 m-85 -110.43 -171.84 1.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -110.89 122.36 47.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 27.5 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.82 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.2 mtm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.779 0.323 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.48 44.5 41.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.649 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . . . -90.5 160.48 39.11 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.7 Cg_endo -69.76 167.71 23.66 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.248 . . . . 0.0 112.329 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 139.53 40.5 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.355 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.636 0.731 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.926 0.393 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.6 m -140.28 135.06 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 m -62.33 132.41 52.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.2 ptm -130.45 111.78 12.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.494 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -95.15 146.1 24.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 116.19 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.19 12.41 54.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -90.04 137.44 32.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.761 0.315 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.6 mt -94.22 103.05 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.523 HD22 HG21 ' A' ' 37' ' ' VAL . 4.7 mp -97.67 132.42 43.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.9 m -71.3 109.57 5.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.811 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -62.08 123.56 18.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.47 ' N ' HD13 ' A' ' 26' ' ' LEU . 18.5 mt -108.88 -49.25 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -145.83 135.35 23.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 p -127.6 23.85 6.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 t -51.73 -31.8 27.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -92.97 174.49 7.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -114.24 -20.35 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -107.01 -35.75 6.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -113.96 120.03 39.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.517 ' CE3' HD21 ' A' ' 26' ' ' LEU . 4.8 m0 -117.57 132.7 56.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.54 119.93 29.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.811 HG12 ' HA ' ' A' ' 26' ' ' LEU . 33.7 m -139.74 173.14 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -123.55 120.66 33.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 p -143.63 146.67 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 54.83 44.01 29.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.6 t70 56.8 24.71 9.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -136.73 130.42 31.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -104.44 138.73 40.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.67 -175.06 41.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -99.13 144.45 28.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -143.11 156.52 61.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 108.88 2.18 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.634 2.223 . . . . 0.0 112.376 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.52 -24.32 45.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.04 -11.75 61.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -100.05 -23.14 14.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 65' ' ' ALA . 33.3 m -116.25 -179.23 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.78 ' HB2' HD11 ' A' ' 66' ' ' LEU . 21.3 ttmt -160.59 138.14 9.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.666 ' HA ' HG12 ' A' ' 63' ' ' VAL . 32.1 mtmm . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.666 HG12 ' HA ' ' A' ' 53' ' ' LYS . 18.8 m -127.71 141.47 46.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.3 tp -105.82 141.71 36.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.652 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -75.06 137.55 41.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.78 HD11 ' HB2' ' A' ' 52' ' ' LYS . 43.6 mt -98.52 -40.59 8.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.649 ' CD2' ' HB2' ' A' ' 3' ' ' ALA . 46.2 m-85 -115.78 170.72 8.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -94.81 121.3 36.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 66.9 t80 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.817 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 ttp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.805 0.336 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.63 38.43 20.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.672 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . . . -87.64 160.39 47.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.589 0.709 . . . . 0.0 111.108 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.566 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.2 Cg_endo -69.76 167.75 23.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 139.54 40.37 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.633 2.222 . . . . 0.0 112.353 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 0.0 110.913 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.903 0.382 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.493 ' CG2' HG12 ' A' ' 39' ' ' VAL . 34.8 m -138.99 133.43 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 m -61.64 140.32 58.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.534 ' HE1' HG13 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -143.68 136.46 27.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.449 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 16.2 ptmt -121.24 144.54 48.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 126.14 17.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.535 ' HA2' HD11 ' A' ' 64' ' ' LEU . . . 105.6 -14.6 46.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.483 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -87.32 135.68 33.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.2 mt -94.98 104.16 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.725 HD22 ' HB ' ' A' ' 39' ' ' VAL . 3.5 mt -88.81 141.8 28.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 m -74.28 109.84 8.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.794 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.4 OUTLIER -64.02 118.54 8.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.1 mt -101.19 -51.65 3.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -148.94 140.14 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -129.87 33.03 4.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.9 p -51.51 -43.52 62.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.171 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.23 -179.25 7.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -113.29 -23.05 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -113.41 -23.46 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -114.0 112.04 22.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -116.34 131.26 56.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -91.78 120.45 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.794 HG12 ' HA ' ' A' ' 26' ' ' LEU . 34.9 m -135.12 177.96 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -122.52 121.31 36.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.725 ' HB ' HD22 ' A' ' 24' ' ' LEU . 14.0 p -144.5 146.71 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 56.41 40.78 29.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.29 23.05 11.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.442 ' O ' HG11 ' A' ' 16' ' ' VAL . 3.9 mmp_? -135.14 137.15 42.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.532 ' NE2' ' H ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -104.3 138.64 40.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -172.63 -176.41 41.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.497 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -100.47 151.74 21.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -151.24 156.49 35.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.585 0.707 . . . . 0.0 111.12 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 108.38 2.06 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.626 2.217 . . . . 0.0 112.386 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.509 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -54.86 -30.53 58.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.9 -17.72 57.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.072 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -93.55 -22.1 19.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.558 HG12 ' HA ' ' A' ' 65' ' ' ALA . 18.9 m -116.02 -173.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.093 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.644 ' HB2' HD11 ' A' ' 66' ' ' LEU . 16.6 ttmt -161.7 129.07 4.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.605 ' HA ' HG12 ' A' ' 63' ' ' VAL . 19.1 pttp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.905 0.383 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.681 HG11 HD23 ' A' ' 26' ' ' LEU . 16.9 m -131.81 136.81 56.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.535 HD11 ' HA2' ' A' ' 21' ' ' GLY . 1.3 tt -107.75 142.35 37.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.558 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -76.17 142.77 41.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.644 HD11 ' HB2' ' A' ' 52' ' ' LYS . 82.1 mt -103.71 -37.9 7.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.672 ' CD2' ' HB2' ' A' ' 3' ' ' ALA . 64.1 m-85 -115.43 -174.75 2.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -106.38 125.29 50.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 68.9 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.84 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ttt . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.882 0.373 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.35 46.21 7.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.732 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -93.71 160.41 32.77 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.568 0.699 . . . . 0.0 111.096 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.2 Cg_endo -69.77 167.73 23.61 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.636 2.224 . . . . 0.0 112.369 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 145.6 57.35 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.636 2.224 . . . . 0.0 112.364 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.887 0.375 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.1 m -141.47 133.71 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.6 m -54.8 126.51 24.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.401 ' HB3' HD21 ' A' ' 24' ' ' LEU . 5.6 ptm -134.12 129.19 35.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 22.9 ttpt -122.96 147.86 46.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.06 130.55 30.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.696 ' HA2' HD21 ' A' ' 64' ' ' LEU . . . 92.08 -5.13 78.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.49 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -84.68 142.85 29.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.783 0.325 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 63.2 mt -98.89 113.27 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.543 HD22 HG21 ' A' ' 37' ' ' VAL . 4.5 mp -106.97 133.0 52.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 m -70.95 104.81 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.79 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.4 OUTLIER -59.97 132.65 54.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.608 ' N ' HD13 ' A' ' 26' ' ' LEU . 49.3 mt -124.23 -59.26 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -118.12 133.71 55.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.461 ' HB3' HD11 ' A' ' 26' ' ' LEU . 86.2 p -138.01 24.45 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.4 p -62.42 -36.69 83.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.179 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -85.6 178.35 7.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -120.31 -8.01 9.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -118.07 -37.63 3.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -114.02 118.38 33.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.601 ' CE3' HD21 ' A' ' 26' ' ' LEU . 5.9 m0 -116.98 143.21 45.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -98.7 122.67 42.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.79 HG12 ' HA ' ' A' ' 26' ' ' LEU . 33.1 m -139.85 171.99 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -122.24 114.6 21.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.8 p -137.09 146.77 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 55.74 42.98 28.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.2 t70 57.69 23.44 9.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.5 mmt-85 -134.88 131.73 37.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.34 138.67 40.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.89 -174.29 40.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -98.17 153.4 18.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.841 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -154.36 156.53 31.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.658 0.742 . . . . 0.0 111.103 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 108.09 2.0 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.7 2.266 . . . . 0.0 112.327 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.432 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -55.83 -25.4 41.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.08 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.73 -17.56 64.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -93.2 -25.47 17.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.566 HG12 ' HA ' ' A' ' 65' ' ' ALA . 19.2 m -112.84 -176.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.814 ' HB2' HD11 ' A' ' 66' ' ' LEU . 31.2 tttt -162.29 133.2 4.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.582 ' HA ' HG12 ' A' ' 63' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.847 0.356 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.697 HG11 HD23 ' A' ' 26' ' ' LEU . 16.4 m -130.42 141.79 45.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.696 HD21 ' HA2' ' A' ' 21' ' ' GLY . 2.9 tp -113.25 148.79 34.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.566 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -79.36 144.45 34.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.814 HD11 ' HB2' ' A' ' 52' ' ' LYS . 19.5 mt -102.92 -45.28 5.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.732 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 42.4 m-85 -110.83 -178.68 3.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -103.72 129.36 51.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 45.6 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.849 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 mmm . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.798 0.332 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.68 45.18 7.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.733 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -93.41 160.4 33.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.595 0.712 . . . . 0.0 111.098 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.8 Cg_endo -69.74 167.7 23.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.353 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 146.06 58.93 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.581 0.705 . . . . 0.0 110.928 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.929 0.395 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.485 HG11 ' O ' ' A' ' 42' ' ' ARG . 9.8 m -135.77 135.33 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 m -65.25 125.58 25.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.7 ptm -127.07 136.05 51.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.426 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 33.5 mtmt -125.55 147.27 49.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -51.77 112.36 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.698 ' HA2' HD11 ' A' ' 64' ' ' LEU . . . 107.17 6.84 33.64 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.469 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.4 ' O ' HD12 ' A' ' 64' ' ' LEU . 1.3 m-20 -96.99 138.94 33.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 110.86 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.8 mp -98.99 117.36 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.557 HD22 HG21 ' A' ' 37' ' ' VAL . 3.6 mp -109.57 142.55 40.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.0 m -79.92 109.31 14.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.806 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -61.09 133.61 56.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.961 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.665 HD13 ' HE3' ' A' ' 36' ' ' LYS . 11.0 mt -124.07 -54.1 1.72 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.559 ' OD1' HG23 ' A' ' 30' ' ' THR . 1.7 t-20 -128.9 131.55 47.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.405 ' HB3' HD11 ' A' ' 26' ' ' LEU . 87.7 p -133.23 39.72 3.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.559 HG23 ' OD1' ' A' ' 28' ' ' ASN . 25.7 p -68.25 -58.21 4.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -80.19 152.07 29.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -95.55 24.21 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -138.44 -43.45 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -113.95 110.09 19.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.626 ' CE3' HD21 ' A' ' 26' ' ' LEU . 6.7 m0 -108.2 138.9 43.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.665 ' HE3' HD13 ' A' ' 27' ' ' LEU . 2.4 tmmm? -96.89 122.06 39.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.806 HG12 ' HA ' ' A' ' 26' ' ' LEU . 24.9 m -140.01 172.99 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -124.06 115.18 20.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 p -138.14 146.72 26.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 55.51 42.62 29.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 58.06 24.04 10.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.485 ' O ' HG11 ' A' ' 16' ' ' VAL . 25.1 mmt180 -136.14 131.74 35.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -104.43 138.8 40.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.95 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.75 -175.32 38.72 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -107.53 125.55 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 m -122.46 156.69 60.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.633 0.73 . . . . 0.0 111.145 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 114.35 3.68 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.8 -20.14 54.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.48 -7.76 53.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -105.19 -24.88 12.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' ' 65' ' ' ALA . 18.0 m -114.31 -175.74 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.766 ' HB2' HD11 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -163.12 132.62 4.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.641 ' HA ' HG12 ' A' ' 63' ' ' VAL . 26.5 ttmt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.9 0.381 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.756 HG11 HD23 ' A' ' 26' ' ' LEU . 16.8 m -126.09 152.75 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.698 HD11 ' HA2' ' A' ' 21' ' ' GLY . 16.3 tp -117.21 144.37 44.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.609 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -82.09 136.03 35.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.766 HD11 ' HB2' ' A' ' 52' ' ' LYS . 13.0 mt -96.54 -49.1 5.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.733 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 38.3 m-85 -108.16 168.7 9.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -95.15 122.42 37.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 44.1 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.864 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.791 0.329 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.0 42.23 11.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.753 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -93.4 160.35 33.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.546 0.689 . . . . 0.0 111.118 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.569 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.8 Cg_endo -69.73 167.74 23.52 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 139.86 41.26 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.653 2.235 . . . . 0.0 112.353 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.674 0.75 . . . . 0.0 110.872 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.886 0.374 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.9 m -144.5 133.18 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 m -60.76 118.34 6.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.4 ptm -120.6 140.94 50.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -127.5 143.58 51.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 130.41 29.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.508 ' HA2' HD11 ' A' ' 64' ' ' LEU . . . 94.02 -6.99 73.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.528 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.49 138.02 31.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.778 0.323 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.448 HG21 HD12 ' A' ' 62' ' ' LEU . 31.0 mt -98.31 109.45 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.151 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.554 HD22 HG21 ' A' ' 37' ' ' VAL . 4.6 mp -95.92 141.17 29.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 m -73.88 104.92 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.799 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -60.49 135.09 57.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.589 ' N ' HD13 ' A' ' 26' ' ' LEU . 21.4 mt -127.59 -56.32 1.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -120.98 129.93 53.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.458 ' HB3' HD11 ' A' ' 26' ' ' LEU . 60.2 p -137.77 34.44 2.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.3 t -73.6 -35.45 65.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.16 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -86.26 169.56 12.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -114.56 12.24 17.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.57 -43.55 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -113.74 120.69 41.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.657 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.3 m0 -116.38 141.42 48.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.579 ' NZ ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -96.67 121.57 38.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.799 HG12 ' HA ' ' A' ' 26' ' ' LEU . 22.6 m -139.12 176.13 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -123.35 118.43 27.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.645 HG22 HD22 ' A' ' 40' ' ' ASN . 14.7 p -144.61 146.77 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.645 HD22 HG22 ' A' ' 39' ' ' VAL . 1.5 m-80 59.0 38.47 24.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 62.0 17.51 9.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -135.89 137.81 41.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.58 154.63 20.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 174.5 -175.7 46.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -99.2 144.42 28.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 m -145.25 156.92 53.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.667 0.746 . . . . 0.0 111.111 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 110.42 2.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.487 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -57.76 -30.29 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.87 -16.74 59.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -93.2 -21.9 19.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.578 HG12 ' HA ' ' A' ' 65' ' ' ALA . 20.1 m -115.09 -174.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.675 ' HB2' HD11 ' A' ' 66' ' ' LEU . 36.4 tttp -162.49 131.43 4.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.645 ' HA ' HG12 ' A' ' 63' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.448 HD12 HG21 ' A' ' 23' ' ' ILE . 1.5 pt? . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.869 0.366 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.645 HG12 ' HA ' ' A' ' 53' ' ' LYS . 17.5 m -128.12 146.06 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.508 HD11 ' HA2' ' A' ' 21' ' ' GLY . 4.5 tt -110.61 139.32 45.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.578 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -78.03 140.78 39.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.675 HD11 ' HB2' ' A' ' 52' ' ' LYS . 54.2 mt -100.73 -44.66 5.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.753 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 34.7 m-85 -112.46 154.77 25.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -81.51 127.82 33.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 60.8 t80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.786 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ptt? . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.869 0.366 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.16 66.71 1.59 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.59 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . -102.26 160.34 26.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.701 . . . . 0.0 111.108 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.59 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.1 Cg_endo -69.74 167.68 23.72 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 144.14 53.42 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.273 . . . . 0.0 112.385 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 121.651 0.739 . . . . 0.0 110.865 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.878 0.37 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.45 HG13 ' HA3' ' A' ' 44' ' ' GLY . 6.2 m -145.28 130.07 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -61.07 119.16 7.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.58 147.97 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.5 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 6.3 tppt? -121.14 144.07 48.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -56.98 107.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.33 14.03 29.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -93.03 144.09 25.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.77 0.319 . . . . 0.0 110.854 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 64.3 mt -92.99 110.34 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.538 HD22 HG21 ' A' ' 37' ' ' VAL . 4.5 mp -106.3 139.71 40.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.2 m -75.54 105.71 6.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.805 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -60.61 132.07 52.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.621 ' N ' HD13 ' A' ' 26' ' ' LEU . 29.0 mt -123.79 -56.15 1.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -122.83 131.29 53.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.525 ' HB3' HD11 ' A' ' 26' ' ' LEU . 92.1 p -138.21 31.4 2.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.0 p -69.82 -39.54 76.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -83.46 168.77 16.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -114.53 14.64 17.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.49 -44.43 0.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -114.05 119.65 37.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.531 ' CE3' HD21 ' A' ' 26' ' ' LEU . 6.7 m0 -113.81 140.2 48.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -95.92 120.92 37.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.805 HG12 ' HA ' ' A' ' 26' ' ' LEU . 30.1 m -139.99 170.66 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -119.67 119.93 35.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -143.02 146.73 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 55.61 42.98 28.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 57.57 23.64 9.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -135.66 132.71 37.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.34 138.65 40.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.45 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -171.58 -170.47 35.65 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -108.79 143.61 37.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.14 156.42 64.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.593 0.711 . . . . 0.0 111.179 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 111.66 2.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.302 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.55 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -56.82 -27.45 60.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.94 -15.11 61.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.053 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -97.91 -22.28 16.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.963 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.55 HG22 ' HA ' ' A' ' 48' ' ' ALA . 19.3 m -114.16 -175.68 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.807 ' HB3' HD21 ' A' ' 66' ' ' LEU . 26.6 tptt -161.07 125.23 3.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.521 ' HA ' HG12 ' A' ' 63' ' ' VAL . 16.1 ptpt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.855 0.359 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.769 HG11 HD23 ' A' ' 26' ' ' LEU . 16.9 m -127.96 148.02 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.6 tp -117.07 135.82 53.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 19' ' ' LYS . . . -73.23 153.15 40.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.807 HD21 ' HB3' ' A' ' 52' ' ' LYS . 21.5 mt -108.73 -46.69 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -119.62 147.06 44.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -66.03 139.19 58.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 91.9 t80 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.847 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpt . . . . . 0 N--CA 1.458 -0.043 0 CA-C-O 120.8 0.333 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.54 44.7 4.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.719 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -87.86 160.38 46.92 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.609 0.719 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.1 Cg_endo -69.75 167.64 23.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 0.0 112.395 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 145.77 58.24 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.751 2.301 . . . . 0.0 112.319 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.635 0.731 . . . . 0.0 110.888 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.854 0.359 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.555 HG13 ' HA3' ' A' ' 44' ' ' GLY . 11.1 m -145.6 129.9 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.6 m -58.49 129.06 40.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.9 ptm -131.95 136.05 47.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -114.22 141.12 47.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -55.0 110.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.496 ' O ' HD11 ' A' ' 64' ' ' LEU . . . 107.4 7.19 32.71 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.496 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -93.09 136.29 33.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.343 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.6 mt -88.56 106.62 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.777 HD22 ' HB ' ' A' ' 39' ' ' VAL . 4.1 mt -100.01 134.05 43.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 m -67.21 107.38 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.752 HD23 HG11 ' A' ' 63' ' ' VAL . 0.5 OUTLIER -63.62 131.52 48.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.622 ' N ' HD13 ' A' ' 26' ' ' LEU . 16.7 mt -119.62 -56.9 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.39 135.97 50.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.536 ' OG ' HD11 ' A' ' 26' ' ' LEU . 12.5 m -140.0 37.72 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.4 t -76.91 -35.71 57.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -80.03 165.64 22.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -114.36 27.64 9.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -152.17 -45.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -114.03 115.85 28.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.499 ' CE3' HD21 ' A' ' 26' ' ' LEU . 6.7 m0 -108.54 143.45 37.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -96.07 116.14 28.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.728 HG12 ' HA ' ' A' ' 26' ' ' LEU . 31.0 m -132.71 175.57 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -125.15 115.4 20.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.777 ' HB ' HD22 ' A' ' 24' ' ' LEU . 14.7 p -131.83 146.75 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 55.76 41.33 30.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 59.27 24.35 12.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -130.79 144.69 51.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.46 138.27 41.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.555 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -174.05 -174.8 41.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -109.34 156.53 19.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 m -154.52 156.57 31.72 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.628 0.728 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 109.89 2.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.513 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -55.17 -28.57 53.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.67 -16.02 59.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.073 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -96.53 -26.19 15.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.513 HG22 ' HA ' ' A' ' 48' ' ' ALA . 19.3 m -111.42 -174.0 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.793 ' HB3' HD21 ' A' ' 66' ' ' LEU . 63.1 tttp -162.64 133.53 4.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.585 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.9 ttpm? . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.752 HG11 HD23 ' A' ' 26' ' ' LEU . 17.7 m -131.75 141.42 45.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.496 HD11 ' O ' ' A' ' 21' ' ' GLY . 4.5 tp -112.96 138.92 49.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.496 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -72.61 149.63 43.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.793 HD21 ' HB3' ' A' ' 52' ' ' LYS . 21.4 mt -106.84 -44.54 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.719 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 36.3 m-85 -113.23 173.49 6.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -93.86 133.87 36.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 74.4 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.85 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 mtt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.813 0.339 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.43 51.65 25.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.598 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . -93.07 160.44 33.59 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.579 0.704 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.598 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.7 Cg_endo -69.7 167.69 23.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.49 40.34 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.721 . . . . 0.0 110.86 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.87 0.367 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.602 HG13 ' HA3' ' A' ' 44' ' ' GLY . 6.3 m -139.31 131.31 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 36.2 m -60.08 123.53 17.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.3 ptm -123.72 129.06 50.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -107.18 134.27 50.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -53.38 114.11 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.597 ' CA ' HD21 ' A' ' 64' ' ' LEU . . . 109.62 0.61 30.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.53 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -99.37 140.24 33.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.596 HG12 HD12 ' A' ' 64' ' ' LEU . 61.2 mt -89.71 130.84 38.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.79 HD22 ' HB ' ' A' ' 39' ' ' VAL . 4.5 mt -116.79 136.86 52.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 m -70.41 104.08 2.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.791 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -61.13 132.29 53.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.616 ' N ' HD13 ' A' ' 26' ' ' LEU . 21.8 mt -121.82 -57.78 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.439 ' OD1' HG22 ' A' ' 30' ' ' THR . 1.9 t-20 -126.87 132.52 50.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 p -141.42 26.06 1.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.439 HG22 ' OD1' ' A' ' 28' ' ' ASN . 5.9 t -63.14 -27.53 69.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.191 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -97.81 175.95 5.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.7 pttm -123.71 25.91 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.17 -60.98 0.94 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -113.93 112.66 23.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.456 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.6 m0 -98.54 137.03 37.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -91.2 116.81 29.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.791 HG12 ' HA ' ' A' ' 26' ' ' LEU . 32.5 m -134.85 174.91 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.086 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -121.72 115.63 23.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.79 ' HB ' HD22 ' A' ' 24' ' ' LEU . 14.9 p -134.4 146.74 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.194 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 55.92 41.98 29.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 58.2 23.69 10.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -131.16 145.66 52.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.53 138.27 41.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.602 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -172.97 -166.22 31.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -121.96 159.16 27.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.921 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 m -154.58 156.81 31.92 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.602 0.715 . . . . 0.0 111.139 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 115.68 4.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.244 . . . . 0.0 112.337 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.42 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -57.06 -22.89 42.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.503 ' HB1' ' HG2' ' A' ' 4' ' ' PRO . . . -69.2 -11.38 60.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -104.97 -25.92 12.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.964 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 65' ' ' ALA . 35.0 m -111.1 179.58 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.177 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.754 ' HB2' HD11 ' A' ' 66' ' ' LEU . 33.8 tttt -163.2 131.41 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.527 ' HA ' HG12 ' A' ' 63' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.839 0.352 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.664 HG11 HD23 ' A' ' 26' ' ' LEU . 15.1 m -125.55 156.13 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.597 HD21 ' CA ' ' A' ' 21' ' ' GLY . 1.1 tt -125.09 158.39 33.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.557 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -91.21 139.31 30.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 52' ' ' LYS . 41.9 mt -97.88 -47.42 5.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -108.87 -177.54 3.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.957 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -102.79 132.56 48.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.5 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.808 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.49 55.72 14.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.585 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . -92.51 160.45 34.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 111.114 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.585 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.6 Cg_endo -69.8 167.68 23.81 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 2.283 . . . . 0.0 112.32 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 139.35 39.98 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.661 2.241 . . . . 0.0 112.389 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.582 0.706 . . . . 0.0 110.94 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.855 0.36 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.2 m -139.17 134.0 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.7 m -54.21 115.33 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.9 ptm -112.76 115.07 27.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.54 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 79.5 mttt -89.85 145.13 25.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -58.73 110.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.49 12.2 42.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -89.09 145.09 25.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.648 HG23 HD12 ' A' ' 62' ' ' LEU . 63.4 mt -93.17 108.07 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.464 HD22 HG21 ' A' ' 37' ' ' VAL . 4.5 mp -103.14 138.56 39.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.9 m -79.62 109.85 14.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.749 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -62.67 134.74 56.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.652 HD13 ' NZ ' ' A' ' 36' ' ' LYS . 21.7 mt -125.86 -48.33 1.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.969 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -134.37 132.87 39.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.5 p -140.3 28.2 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -59.86 -27.79 66.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.152 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -98.94 -175.98 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -125.09 -0.82 7.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -118.85 -41.2 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -113.98 117.81 32.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.62 ' CE3' HD21 ' A' ' 26' ' ' LEU . 6.1 m0 -116.7 136.17 53.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.652 ' NZ ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -95.16 122.23 37.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.958 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.749 HG12 ' HA ' ' A' ' 26' ' ' LEU . 19.8 m -139.96 176.26 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -125.68 117.19 22.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.6 p -137.65 146.69 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 56.46 41.74 28.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 59.07 22.59 10.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -131.03 134.64 46.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.42 138.58 40.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.56 -170.72 38.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -107.0 154.44 21.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.906 0.384 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 m -153.63 156.48 32.3 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.626 0.727 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 110.96 2.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.351 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.4 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -57.94 -24.7 59.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.6 -12.06 60.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -99.95 -19.38 16.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' A' ' 65' ' ' ALA . 19.1 m -120.55 -178.01 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.163 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.779 ' HB2' HD11 ' A' ' 66' ' ' LEU . 24.4 tttm -162.87 139.46 7.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.61 ' HA ' HG12 ' A' ' 63' ' ' VAL . 23.3 mtpp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.648 HD12 HG23 ' A' ' 23' ' ' ILE . 1.4 pt? . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.886 0.374 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.61 HG12 ' HA ' ' A' ' 53' ' ' LYS . 17.8 m -127.72 148.77 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.5 tp -116.24 144.82 43.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.547 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -76.16 141.74 41.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.779 HD11 ' HB2' ' A' ' 52' ' ' LYS . 32.6 mt -100.51 -46.34 5.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -117.64 149.31 40.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -71.63 129.39 38.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 62.7 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.845 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 tpt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.69 42.49 11.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.744 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -91.61 160.5 36.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.71 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.4 Cg_endo -69.77 167.68 23.74 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 139.4 40.17 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.727 2.285 . . . . 0.0 112.367 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.626 0.727 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.891 0.377 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.475 HG13 ' HA3' ' A' ' 44' ' ' GLY . 34.2 m -138.31 132.07 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.6 m -62.14 134.38 56.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.543 ' HE1' HG13 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -142.93 136.51 28.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.588 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -127.61 152.56 47.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.36 122.66 10.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.53 ' HA2' HD21 ' A' ' 64' ' ' LEU . . . 103.29 -5.4 49.01 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.537 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -87.41 143.21 27.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.783 0.325 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mt -100.83 109.95 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 18' ' ' MET . 4.8 mp -103.75 134.95 46.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.9 m -72.16 111.73 7.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.748 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -73.99 128.34 35.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.483 HD12 HE22 ' A' ' 43' ' ' GLN . 33.7 mt -119.64 -51.2 2.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.53 139.22 49.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 p -151.16 36.54 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.6 t -66.42 -24.84 66.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -93.27 168.6 10.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -114.13 25.54 11.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -142.57 -47.73 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -113.96 126.62 55.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.47 ' CE3' HD21 ' A' ' 26' ' ' LEU . 10.5 m0 -116.54 131.3 56.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -86.55 114.63 23.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.748 HG12 ' HA ' ' A' ' 26' ' ' LEU . 14.8 m -138.41 176.12 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -128.48 120.56 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 p -137.18 146.49 27.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.0 m120 51.83 48.51 22.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 53.58 28.22 7.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -131.49 135.82 47.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.483 HE22 HD12 ' A' ' 27' ' ' LEU . 58.6 tp60 -104.49 136.86 43.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.475 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . 178.91 179.45 48.65 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.535 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -101.75 157.26 16.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.905 0.383 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.3 m -150.4 156.16 36.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.651 0.738 . . . . 0.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 114.98 3.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.06 -19.48 53.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.46 -6.57 49.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.47 ' CB ' ' HE1' ' A' ' 18' ' ' MET . 3.9 m-85 -107.31 -24.34 11.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.597 HG12 ' HA ' ' A' ' 65' ' ' ALA . 32.8 m -114.86 179.4 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.681 ' HB2' HD11 ' A' ' 66' ' ' LEU . 18.8 ttpt -161.37 135.28 6.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.576 ' HA ' HG12 ' A' ' 63' ' ' VAL . 13.2 pttt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.872 0.368 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.713 HG11 HD23 ' A' ' 26' ' ' LEU . 12.6 m -126.04 144.27 36.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.53 HD21 ' HA2' ' A' ' 21' ' ' GLY . 2.4 tp -111.68 148.02 34.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.597 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -78.03 144.94 36.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.681 HD11 ' HB2' ' A' ' 52' ' ' LYS . 54.1 mt -103.66 -39.43 6.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.744 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 48.1 m-85 -116.17 -172.9 2.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -108.36 129.56 55.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 41.1 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.801 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.796 0.331 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.7 37.99 6.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.662 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -86.71 160.41 50.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.708 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.0 Cg_endo -69.77 167.77 23.49 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.62 48.4 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.316 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.901 0.381 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.2 m -137.0 132.99 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 m -58.54 118.11 5.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.4 ptm -120.18 142.75 48.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.591 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 54.4 mttt -130.57 144.48 51.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.81 128.29 23.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.86 -3.75 67.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.49 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -86.31 145.13 27.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 60.9 mt -101.33 112.48 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.423 HD23 ' HB ' ' A' ' 39' ' ' VAL . 2.6 mp -104.31 133.69 48.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -70.61 108.68 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.775 HD22 HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -69.86 127.27 32.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.557 HD12 ' NE2' ' A' ' 43' ' ' GLN . 30.4 mt -119.44 -54.92 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.454 ' ND2' HG22 ' A' ' 30' ' ' THR . 1.1 t30 -121.7 130.96 53.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.437 ' HB3' HD11 ' A' ' 26' ' ' LEU . 10.5 p -139.96 33.69 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.454 HG22 ' ND2' ' A' ' 28' ' ' ASN . 15.1 t -69.76 -30.71 68.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.129 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.82 -179.99 6.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -123.67 -3.84 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -118.21 -45.67 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -113.87 122.88 48.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.602 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.3 m0 -116.97 144.87 44.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -98.02 118.79 35.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.775 HG12 HD22 ' A' ' 26' ' ' LEU . 13.4 m -139.91 175.3 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -126.5 111.96 15.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.423 ' HB ' HD23 ' A' ' 24' ' ' LEU . 14.1 p -128.85 146.74 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.6 m120 52.02 48.55 22.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 53.39 27.97 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -131.44 134.15 45.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.557 ' NE2' HD12 ' A' ' 27' ' ' LEU . 7.6 tp-100 -104.37 134.28 47.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.98 -174.8 44.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -103.58 155.86 18.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -154.36 156.84 32.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.711 . . . . 0.0 111.133 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 116.51 4.59 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.369 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.53 -23.61 67.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.01 -10.88 60.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.063 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -100.13 -18.37 16.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.588 HG12 ' HA ' ' A' ' 65' ' ' ALA . 19.0 m -122.09 -175.85 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.711 ' HB2' HD11 ' A' ' 66' ' ' LEU . 25.0 ttmt -157.98 133.08 8.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.599 ' HA ' HG12 ' A' ' 63' ' ' VAL . 19.4 ttpp . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.848 0.356 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.657 HG11 HD23 ' A' ' 26' ' ' LEU . 16.4 m -132.97 143.54 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 tp -108.58 150.92 26.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 19' ' ' LYS . . . -84.34 142.46 30.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.066 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.711 HD11 ' HB2' ' A' ' 52' ' ' LYS . 44.2 mt -105.36 -45.45 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.662 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 34.3 m-85 -115.46 160.56 19.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -85.72 128.74 34.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 52.0 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.813 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.034 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.04 47.71 17.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.659 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -93.67 160.49 32.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 111.086 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.8 Cg_endo -69.8 167.78 23.51 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.627 2.218 . . . . 0.0 112.36 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.37 56.91 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.642 0.734 . . . . 0.0 110.94 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.907 0.384 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.502 HG13 ' HA3' ' A' ' 44' ' ' GLY . 16.3 m -144.43 134.28 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.471 ' O ' HG11 ' A' ' 39' ' ' VAL . 7.3 m -58.03 137.78 56.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.6 ptm -132.93 137.8 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.461 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 9.3 ttpp -115.56 137.29 52.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -53.14 114.16 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.473 ' O ' HD11 ' A' ' 64' ' ' LEU . . . 103.25 6.88 44.37 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -95.1 133.38 38.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.781 0.324 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 72.0 mt -88.01 103.2 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.782 HD22 ' HB ' ' A' ' 39' ' ' VAL . 4.7 mt -92.55 139.79 30.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.947 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.9 m -73.7 107.92 6.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.793 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -64.66 124.89 23.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.51 ' N ' HD13 ' A' ' 26' ' ' LEU . 24.2 mt -111.39 -47.73 3.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -145.94 134.54 22.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.522 ' OG ' HD11 ' A' ' 26' ' ' LEU . 23.5 m -131.17 26.5 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 t -51.44 -30.38 19.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -96.62 177.64 5.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -117.12 -14.64 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -109.39 -37.01 5.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -114.03 118.29 33.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -117.12 132.03 56.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HE3' HD13 ' A' ' 27' ' ' LEU . 2.9 tmmm? -90.78 115.67 28.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.793 HG12 ' HA ' ' A' ' 26' ' ' LEU . 27.3 m -135.76 177.21 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.64 122.43 39.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.782 ' HB ' HD22 ' A' ' 24' ' ' LEU . 12.7 p -140.73 144.92 26.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 54.86 37.81 29.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.62 27.09 14.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.1 tpt85 -132.42 135.66 46.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -104.42 126.01 51.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.502 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -166.54 -172.22 33.58 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -104.36 156.33 18.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -154.18 156.57 31.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.623 0.725 . . . . 0.0 111.12 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 108.65 2.12 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.731 2.287 . . . . 0.0 112.342 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.492 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -55.14 -26.53 39.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.04 -19.28 65.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.091 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -92.23 -24.46 19.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.492 HG22 ' HA ' ' A' ' 48' ' ' ALA . 20.3 m -113.05 -174.53 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.628 ' HB2' HD11 ' A' ' 66' ' ' LEU . 9.5 tppt? -163.11 124.56 2.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.52 ' HA ' HG12 ' A' ' 63' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.797 0.332 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.767 HG11 HD23 ' A' ' 26' ' ' LEU . 16.9 m -126.2 145.36 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.174 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.473 HD11 ' O ' ' A' ' 21' ' ' GLY . 6.1 tp -114.78 137.07 52.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.965 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 19' ' ' LYS . . . -73.43 151.27 41.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.628 HD11 ' HB2' ' A' ' 52' ' ' LYS . 55.7 mt -108.81 -43.39 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.659 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 44.6 m-85 -112.85 177.33 4.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -103.32 127.53 50.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.7 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.869 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ttt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.31 47.12 8.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.684 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . . . -90.73 160.43 38.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.601 0.715 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.4 Cg_endo -69.72 167.7 23.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.635 2.224 . . . . 0.0 112.384 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.92 43.86 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.656 2.238 . . . . 0.0 112.351 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 42' ' ' ARG . 13.0 m -139.19 135.64 41.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m -59.62 137.66 57.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.9 ptm -139.86 125.51 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -107.54 146.38 31.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.02 110.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.99 16.41 33.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -91.43 152.03 20.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.551 HG23 HD12 ' A' ' 62' ' ' LEU . 51.0 mt -99.25 121.26 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.487 HD22 HG21 ' A' ' 37' ' ' VAL . 5.0 mp -121.61 136.19 54.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.6 m -80.45 114.13 19.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.79 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -67.11 131.14 45.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.575 ' N ' HD13 ' A' ' 26' ' ' LEU . 77.5 mt -120.64 -48.41 2.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -143.45 138.55 29.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 m -131.65 35.62 3.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.0 p -60.08 -31.86 70.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -117.03 109.1 16.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 4.4 ptpp? -51.45 -28.24 12.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -74.91 -50.64 16.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -114.26 118.33 33.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.2 m0 -108.3 128.06 54.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -85.45 112.29 20.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.79 HG12 ' HA ' ' A' ' 26' ' ' LEU . 32.9 m -132.63 176.52 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.113 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -124.92 121.14 33.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.8 p -144.55 146.63 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 54.77 44.13 28.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 56.65 24.86 9.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.429 ' O ' HG11 ' A' ' 16' ' ' VAL . 9.5 tpt180 -136.01 130.75 34.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.44 138.69 40.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -174.69 -174.63 41.56 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -103.01 142.48 34.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.91 0.386 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -140.02 156.43 70.39 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.649 0.738 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 111.12 2.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.231 . . . . 0.0 112.305 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 32' ' ' LYS . . . -56.99 -23.85 49.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.82 -12.59 61.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -99.64 -22.55 15.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' A' ' 65' ' ' ALA . 17.2 m -119.26 -173.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.721 ' HD3' HD21 ' A' ' 66' ' ' LEU . 16.8 pttm -156.82 135.73 11.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.6 ' HG3' HG12 ' A' ' 63' ' ' VAL . 3.0 ttpm? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.551 HD12 HG23 ' A' ' 23' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.851 0.357 . . . . 0.0 110.908 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.788 HG11 HD23 ' A' ' 26' ' ' LEU . 10.4 m -129.78 138.79 53.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.1 tp -106.28 138.32 42.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.487 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -77.26 154.25 33.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.721 HD21 ' HD3' ' A' ' 52' ' ' LYS . 60.6 mt -115.18 -42.62 3.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.684 ' CD2' ' HB2' ' A' ' 3' ' ' ALA . 42.3 m-85 -111.34 170.78 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -95.68 125.4 40.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 78.8 t80 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.93 -179.836 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 tmm? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.795 0.331 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.08 48.13 3.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.446 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.775 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -94.9 160.34 31.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.721 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.9 Cg_endo -69.77 167.48 24.35 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.262 . . . . 0.0 112.328 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 147.2 62.86 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.414 HD23 ' HD2' ' A' ' 7' ' ' PRO . 1.6 mt -66.65 159.34 74.88 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.623 0.725 . . . . 0.0 110.935 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.414 ' HD2' HD23 ' A' ' 6' ' ' LEU . 53.1 Cg_endo -69.79 167.14 25.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.298 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -48.22 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.659 2.239 . . . . 0.0 112.327 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -89.39 -169.97 2.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -157.39 149.29 22.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.847 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.701 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . . . -51.7 -65.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.65 73.46 0.68 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.24 -146.05 9.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.8 mmt-85 -98.69 143.24 29.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -114.07 -173.47 2.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.559 HG13 ' HA3' ' A' ' 44' ' ' GLY . 26.1 m -137.95 130.97 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.1 m -62.12 137.44 58.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.431 ' HB3' HD21 ' A' ' 24' ' ' LEU . 7.3 ptm -132.01 147.29 52.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 30.1 mtmm -121.83 147.46 45.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.32 111.68 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.68 7.64 41.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -90.87 143.79 26.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.5 mt -98.76 108.11 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.451 HD22 HG21 ' A' ' 37' ' ' VAL . 5.1 mp -101.19 134.81 43.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.3 m -72.44 113.45 9.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.796 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -67.76 127.32 32.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.52 ' N ' HD13 ' A' ' 26' ' ' LEU . 95.8 mt -112.85 -52.94 2.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -141.29 139.08 33.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -131.29 27.32 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 43.7 p -51.72 -30.36 22.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -98.34 152.46 19.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -96.13 -0.88 49.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -119.81 -40.29 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -113.99 123.47 49.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.606 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.8 m0 -116.53 128.77 55.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -85.53 115.64 23.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.796 HG12 ' HA ' ' A' ' 26' ' ' LEU . 29.3 m -133.9 179.42 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -128.45 125.46 38.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.537 HG22 HD22 ' A' ' 40' ' ' ASN . 11.8 p -143.51 144.68 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.537 HD22 HG22 ' A' ' 39' ' ' VAL . 1.5 m-80 54.74 38.02 29.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 63.46 27.2 15.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -132.35 136.19 46.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -104.41 135.93 44.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.559 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -170.38 -173.69 37.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.701 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 31.5 p90 -116.85 126.89 53.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -122.85 156.49 62.03 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.623 0.725 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 112.59 3.11 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.55 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -56.03 -27.95 55.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.79 -15.9 59.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.65 -20.99 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.552 HG12 ' HA ' ' A' ' 65' ' ' ALA . 24.6 m -116.24 -174.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.161 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.717 ' HB2' HD11 ' A' ' 66' ' ' LEU . 29.9 ttpt -162.39 125.78 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.564 ' HA ' HG12 ' A' ' 63' ' ' VAL . 26.9 pttt -51.85 148.1 6.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.878 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.508 HD12 ' CB ' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -123.16 97.77 5.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -130.2 69.42 1.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.8 m -73.75 -26.42 60.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.67 45.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 t -112.88 -32.37 6.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.81 0.338 . . . . 0.0 111.139 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.17 -48.46 1.13 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.425 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.44 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -52.34 145.32 11.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.734 0.302 . . . . 0.0 110.928 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -88.61 86.84 7.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 60' ' ' LYS . 1.6 pt? -126.95 148.74 50.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.717 HG11 HD23 ' A' ' 26' ' ' LEU . 16.3 m -127.77 142.57 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.508 ' CB ' HD12 ' A' ' 54' ' ' LEU . 1.6 tt -106.5 140.43 39.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.552 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -78.69 143.94 35.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' A' ' 52' ' ' LYS . 42.5 mt -104.5 -40.76 5.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.775 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 16.0 m-85 -123.72 144.26 49.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -71.12 135.91 47.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -144.57 148.72 34.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -142.42 137.93 30.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.8 mp0 -51.95 136.67 28.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.1 ttmm -151.71 118.74 5.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.9 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.765 0.317 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.67 41.73 9.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.781 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -90.89 160.38 38.23 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.61 0.719 . . . . 0.0 111.108 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.4 Cg_endo -69.75 167.68 23.73 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 139.48 40.34 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.261 . . . . 0.0 112.347 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.445 HD23 ' HD2' ' A' ' 7' ' ' PRO . 0.9 OUTLIER -65.9 159.71 67.85 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.611 0.72 . . . . 0.0 110.91 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.445 ' HD2' HD23 ' A' ' 6' ' ' LEU . 53.3 Cg_endo -69.77 167.63 23.91 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -48.18 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.655 2.237 . . . . 0.0 112.34 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -88.08 -170.38 2.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.963 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.1 m -147.85 154.91 41.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.92 -25.27 68.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.15 -60.31 4.78 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.47 161.45 2.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.513 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -58.93 118.73 6.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 110.835 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -75.18 -174.99 2.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.435 HG11 ' O ' ' A' ' 42' ' ' ARG . 6.3 m -141.19 135.38 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.606 HG23 ' HA ' ' A' ' 70' ' ' GLN . 6.0 m -65.33 131.35 46.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.627 ' HE1' HG13 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -130.75 138.35 49.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.56 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 40.7 tptt -113.42 149.87 33.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -58.36 110.92 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.68 9.23 44.02 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -89.3 144.34 26.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.775 0.321 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.5 mt -96.16 113.74 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.185 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.481 HD22 HG21 ' A' ' 37' ' ' VAL . 4.8 mp -110.41 138.99 46.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 m -78.31 113.27 16.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.791 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -64.23 133.08 52.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.551 ' N ' HD13 ' A' ' 26' ' ' LEU . 92.0 mt -119.78 -50.56 2.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -142.03 138.29 31.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 p -135.53 26.6 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 t -52.55 -32.2 39.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.095 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -101.89 148.14 25.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -93.06 16.33 13.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.56 -41.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -114.17 112.02 22.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.579 ' CE3' HD21 ' A' ' 26' ' ' LEU . 6.5 m0 -108.62 124.43 50.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -85.42 121.13 27.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.791 HG12 ' HA ' ' A' ' 26' ' ' LEU . 23.7 m -137.6 179.26 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -127.21 121.79 32.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.6 p -144.49 146.64 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 56.38 37.07 28.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.29 24.87 14.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.435 ' O ' HG11 ' A' ' 16' ' ' VAL . 11.5 tpt180 -136.21 133.41 37.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -104.51 138.51 40.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.406 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -169.33 -176.09 39.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.473 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -107.6 125.91 51.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.899 0.38 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 m -123.44 156.29 64.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.723 . . . . 0.0 111.182 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 111.24 2.76 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.483 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -55.95 -25.14 42.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.16 -13.32 61.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -99.85 -22.54 15.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.627 HG13 ' HE1' ' A' ' 18' ' ' MET . 22.5 m -115.39 -177.73 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.075 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.777 ' HB2' HD11 ' A' ' 66' ' ' LEU . 45.0 tttt -163.15 134.91 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.6 ' HA ' HG12 ' A' ' 63' ' ' VAL . 53.9 mtmt -51.9 145.71 9.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.4 tp -131.45 110.75 11.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -137.59 133.03 33.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.2 m -112.4 -31.49 6.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.62 45.74 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.492 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 t -116.75 -24.83 7.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 111.118 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.08 -44.83 1.42 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.524 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 142.68 16.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -101.65 77.67 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.581 ' H ' HD23 ' A' ' 62' ' ' LEU . 1.5 pt? -105.82 156.51 18.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.611 HG11 HD23 ' A' ' 26' ' ' LEU . 18.5 m -130.19 146.11 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.6 tp -114.1 142.59 46.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 19' ' ' LYS . . . -75.85 144.99 40.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.777 HD11 ' HB2' ' A' ' 52' ' ' LYS . 33.0 mt -103.6 -40.89 6.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.781 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 34.1 m-85 -119.06 160.85 21.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -83.84 132.46 34.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -150.72 138.76 20.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.606 ' HA ' HG23 ' A' ' 17' ' ' THR . 2.0 pm0 -127.35 128.35 45.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -51.96 132.2 32.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -163.83 116.14 1.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.2 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.92 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 ptt? . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.796 0.332 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.14 42.66 6.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.686 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . . . -94.68 160.42 31.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.721 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.1 Cg_endo -69.76 167.71 23.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.343 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 139.75 41.14 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.728 2.285 . . . . 0.0 112.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.488 HD23 ' HD2' ' A' ' 7' ' ' PRO . 0.6 OUTLIER -64.61 160.05 55.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.65 0.738 . . . . 0.0 110.869 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.488 ' HD2' HD23 ' A' ' 6' ' ' LEU . 53.6 Cg_endo -69.82 167.71 23.73 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.298 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -48.3 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.305 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -87.51 -170.35 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.6 m -151.66 141.78 22.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.72 -41.56 61.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.38 -54.95 0.78 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.37 159.02 11.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -56.82 132.44 52.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.805 0.336 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -84.85 -175.11 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.427 HG13 ' HA3' ' A' ' 44' ' ' GLY . 14.9 m -138.56 135.13 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.7 m -60.97 118.45 6.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -124.22 147.26 48.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.852 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.57 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 21.4 ptmt -135.45 153.74 51.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 121.88 11.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.5 ' HA2' HD11 ' A' ' 64' ' ' LEU . . . 99.48 -5.21 58.6 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.526 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -82.27 143.85 31.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.1 mt -100.78 110.05 26.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.474 HD22 HG21 ' A' ' 37' ' ' VAL . 4.5 mp -104.68 140.2 38.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.1 m -80.77 113.64 19.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.193 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.804 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -63.11 134.74 56.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.578 ' N ' HD13 ' A' ' 26' ' ' LEU . 91.6 mt -123.21 -51.07 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -136.32 133.92 37.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.4 p -142.13 36.19 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.3 t -65.34 -24.59 67.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.168 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.06 -178.9 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -123.33 18.38 9.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -137.1 -41.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -114.06 113.61 24.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.523 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.4 m0 -112.85 130.75 55.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -91.25 122.59 34.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.931 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.804 HG12 ' HA ' ' A' ' 26' ' ' LEU . 22.9 m -139.23 176.92 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -125.04 123.25 39.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.9 p -144.53 146.71 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 55.8 37.42 28.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 t70 63.42 25.63 14.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.41 ' O ' HG11 ' A' ' 16' ' ' VAL . 11.4 tpt180 -134.81 131.93 38.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -104.47 129.72 52.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.427 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -164.08 -176.64 36.12 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -102.7 141.64 35.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.379 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 m -141.09 156.34 68.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.616 0.722 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 111.78 2.91 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.691 2.261 . . . . 0.0 112.359 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.584 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -55.84 -28.59 57.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.34 -16.3 59.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -96.77 -23.15 16.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.584 HG22 ' HA ' ' A' ' 48' ' ' ALA . 21.5 m -112.12 -178.05 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.467 ' HB2' HD11 ' A' ' 66' ' ' LEU . 11.2 ttmm -157.73 125.88 5.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.604 ' HA ' HG12 ' A' ' 63' ' ' VAL . 40.6 tttm -67.13 144.7 55.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.675 HD23 ' HA ' ' A' ' 63' ' ' VAL . 1.4 pt? -138.83 150.57 46.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -158.26 147.66 19.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.6 22.55 5.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.18 13.22 64.31 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.3 t -72.42 -24.13 61.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 0.0 111.163 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.57 -42.29 1.93 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.523 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -68.92 169.31 11.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.73 0.3 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -116.63 91.93 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.545 ' H ' HD23 ' A' ' 62' ' ' LEU . 1.2 pt? -108.34 151.7 25.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.793 HG11 HD23 ' A' ' 26' ' ' LEU . 16.5 m -135.04 146.86 29.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.5 HD11 ' HA2' ' A' ' 21' ' ' GLY . 2.4 tt -119.31 142.11 48.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 19' ' ' LYS . . . -76.94 139.98 40.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 52' ' ' LYS . 76.8 mt -99.55 -42.22 7.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.686 ' CD2' ' HB2' ' A' ' 3' ' ' ALA . 41.2 m-85 -111.52 167.66 10.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -91.4 129.4 37.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -144.08 144.31 31.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -114.36 160.27 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -72.05 139.78 48.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -119.43 46.97 1.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.924 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.805 0.336 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.12 48.47 5.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.734 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -93.49 160.43 33.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.2 Cg_endo -69.73 167.71 23.61 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 156.69 62.57 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.664 2.242 . . . . 0.0 112.374 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mt -79.32 159.2 73.03 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.625 0.726 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 167.65 23.75 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.674 2.249 . . . . 0.0 112.378 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -48.32 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -87.57 -170.01 2.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.968 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m -152.53 147.6 26.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.55 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . . . -51.7 -69.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 110.86 72.6 0.68 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.98 -144.04 6.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.492 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -105.08 137.42 42.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.778 0.323 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -104.48 -178.72 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.616 HG13 ' HA3' ' A' ' 44' ' ' GLY . 30.0 m -138.63 129.92 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.5 m -52.49 130.18 30.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.8 ptm -134.78 129.29 34.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -120.47 148.74 43.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.87 130.77 29.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.616 ' HA2' HD11 ' A' ' 64' ' ' LEU . . . 94.13 -7.94 72.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.476 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.65 130.92 35.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.321 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.7 mt -94.96 103.11 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.55 HD22 HG21 ' A' ' 37' ' ' VAL . 4.8 mp -94.31 142.84 26.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 m -77.28 111.65 13.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.795 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -63.45 135.13 56.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.58 ' N ' HD13 ' A' ' 26' ' ' LEU . 17.7 mt -124.38 -54.95 1.67 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.538 ' OD1' HG23 ' A' ' 30' ' ' THR . 1.7 t-20 -128.06 132.52 49.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.1 p -132.51 39.35 3.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.538 HG23 ' OD1' ' A' ' 28' ' ' ASN . 21.4 p -69.07 -60.23 2.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -74.07 150.42 40.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -94.27 17.95 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -135.06 -41.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -114.02 118.67 34.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.646 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.8 m0 -115.12 141.2 48.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -97.67 119.83 36.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.795 HG12 ' HA ' ' A' ' 26' ' ' LEU . 34.7 m -136.18 175.48 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -123.2 122.5 38.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.1 p -141.4 147.06 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.08 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 57.17 40.86 27.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 60.75 21.53 11.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -128.98 161.8 29.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -121.94 136.63 54.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.616 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -169.17 -176.93 39.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.55 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 33.8 p90 -112.31 142.16 45.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.876 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -138.72 156.56 72.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 113.27 3.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.461 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -56.95 -23.67 47.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.66 -12.0 60.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -101.97 -25.09 13.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.558 HG12 ' HA ' ' A' ' 65' ' ' ALA . 19.5 m -113.35 -178.21 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.628 ' HB2' HD11 ' A' ' 66' ' ' LEU . 1.2 ttmp? -162.93 136.88 6.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.627 ' HA ' HG12 ' A' ' 63' ' ' VAL . 19.0 ttpt -52.22 144.57 12.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.8 tp -128.78 90.57 3.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -128.07 126.31 40.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.2 m -121.71 27.43 8.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.57 -13.84 57.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.7 t -51.61 -30.15 20.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.884 0.373 . . . . 0.0 111.172 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.43 -44.53 1.75 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -51.9 163.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.744 0.307 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -110.47 86.94 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.28 149.98 47.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.666 HG11 HD23 ' A' ' 26' ' ' LEU . 18.6 m -127.96 145.36 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.616 HD11 ' HA2' ' A' ' 21' ' ' GLY . 3.3 tt -112.65 138.42 49.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.558 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -76.52 142.12 41.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.628 HD11 ' HB2' ' A' ' 52' ' ' LYS . 8.3 mt -100.0 -46.11 5.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.734 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 34.4 m-85 -110.2 164.51 12.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -91.83 119.87 32.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -124.42 146.46 48.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -125.5 155.04 41.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -61.38 111.04 1.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -102.71 42.73 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.869 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 ptt? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.814 0.34 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.29 43.72 9.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.709 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . . . -96.5 160.47 29.49 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.709 . . . . 0.0 111.112 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.1 Cg_endo -69.77 167.67 23.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 144.33 53.55 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.657 2.238 . . . . 0.0 112.325 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.45 159.24 61.19 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.624 0.726 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 167.59 24.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.23 . . . . 0.0 112.386 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -48.16 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.247 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -88.4 -170.06 2.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.4 t -148.6 150.18 32.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.84 -178.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.53 72.83 0.42 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.532 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.7 167.81 19.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 ptt-85 -53.87 158.36 2.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -112.55 -173.34 2.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.485 ' CG2' HG12 ' A' ' 39' ' ' VAL . 34.2 m -143.87 131.71 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 m -59.62 126.01 25.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.596 ' HE1' HG13 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -129.3 135.36 48.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.849 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -123.13 142.86 50.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -51.79 121.08 5.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.65 -10.27 32.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.471 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -89.88 139.33 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.321 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.524 HG21 HD12 ' A' ' 62' ' ' LEU . 33.2 mt -96.71 102.98 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.16 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.558 HD22 HG21 ' A' ' 37' ' ' VAL . 3.6 mp -88.76 140.8 29.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 m -76.01 108.27 8.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.789 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -62.04 133.41 55.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.571 ' N ' HD13 ' A' ' 26' ' ' LEU . 16.0 mt -123.2 -57.91 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.992 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -125.88 130.8 52.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 p -142.1 40.15 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.0 t -72.62 -25.4 61.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -99.83 179.94 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -123.79 25.52 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -141.61 -46.36 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -114.0 115.66 27.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.637 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.4 m0 -112.54 132.81 54.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -91.37 118.35 30.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.789 HG12 ' HA ' ' A' ' 26' ' ' LEU . 21.8 m -136.34 174.42 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -123.15 115.92 22.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.485 HG12 ' CG2' ' A' ' 16' ' ' VAL . 13.8 p -137.53 146.83 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 56.33 41.14 29.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 59.89 23.4 12.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.92 143.05 50.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -112.36 131.14 55.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.6 -177.92 41.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.527 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -98.66 156.31 16.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.39 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.5 m -153.92 155.91 31.6 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.641 0.734 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 111.7 2.88 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.695 2.264 . . . . 0.0 112.347 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.411 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -56.86 -24.21 49.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.43 -12.23 60.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.403 ' HB3' ' HE1' ' A' ' 18' ' ' MET . 3.7 m-85 -100.87 -24.26 14.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.637 HG12 ' HA ' ' A' ' 65' ' ' ALA . 29.1 m -111.54 179.89 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.91 134.12 6.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.643 ' HA ' HG12 ' A' ' 63' ' ' VAL . 52.2 mtmt -53.54 146.92 11.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.8 tt -130.9 90.18 2.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -141.75 116.6 9.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.1 m -100.94 26.35 7.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.42 30.8 8.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.6 p -93.9 -28.33 15.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 0.0 111.165 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.26 -43.75 1.63 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -52.05 156.36 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.68 0.276 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -110.7 80.22 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.524 HD12 HG21 ' A' ' 23' ' ' ILE . 1.8 pt? -120.51 147.55 45.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.692 HG11 HD23 ' A' ' 26' ' ' LEU . 17.8 m -130.04 141.7 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 tt -110.28 139.39 45.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.637 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -75.51 138.38 41.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 59.9 mt -96.62 -39.89 9.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.709 ' CD2' ' HB2' ' A' ' 3' ' ' ALA . 39.1 m-85 -114.85 179.14 4.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -101.46 129.6 47.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -144.4 149.47 36.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -121.92 160.5 24.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -68.19 125.15 25.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -102.46 85.48 2.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.929 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.816 0.341 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.52 45.73 13.29 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.446 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.699 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . . . -95.14 160.45 30.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 111.054 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.4 Cg_endo -69.8 167.57 24.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 146.53 60.44 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mt -73.44 159.19 85.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.601 0.715 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 167.52 24.25 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.708 2.272 . . . . 0.0 112.288 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -48.16 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -88.78 -169.96 2.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.6 t -145.22 154.0 41.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.61 -59.82 3.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.75 -79.79 0.37 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.524 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.26 172.12 0.35 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -53.91 134.18 42.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.749 0.309 . . . . 0.0 110.862 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -89.93 -173.27 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.57 HG13 ' HA3' ' A' ' 44' ' ' GLY . 6.3 m -144.0 135.84 22.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.8 m -66.23 144.88 56.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.7 ptm -148.74 148.28 29.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 35.6 ttpt -142.17 154.42 44.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 122.96 8.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.639 ' CA ' HD11 ' A' ' 64' ' ' LEU . . . 97.27 2.97 58.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.447 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -96.99 129.63 44.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.748 0.308 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 69.7 mt -90.82 135.71 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.578 HD22 HG21 ' A' ' 37' ' ' VAL . 4.0 mp -129.95 133.31 46.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.6 m -72.46 112.4 8.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.823 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -63.73 129.15 38.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.97 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.535 ' N ' HD13 ' A' ' 26' ' ' LEU . 86.5 mt -117.15 -50.94 2.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -138.7 135.98 35.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.1 p -138.01 25.68 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.9 p -59.54 -24.23 63.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.197 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -94.91 159.86 14.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -108.12 20.65 18.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -141.48 -44.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -114.03 121.88 45.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.537 ' CE3' HD21 ' A' ' 26' ' ' LEU . 6.8 m0 -113.09 128.87 56.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.951 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -86.58 113.94 22.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.823 HG12 ' HA ' ' A' ' 26' ' ' LEU . 21.7 m -130.07 175.16 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -120.86 118.86 31.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.5 p -140.71 147.11 23.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 58.68 38.65 25.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 62.39 19.3 11.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 mtp85 -128.47 163.58 24.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -123.02 136.16 54.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.57 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -168.75 -176.49 38.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -109.36 148.71 30.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.5 m -145.81 156.08 51.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.65 0.738 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 115.83 4.28 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.679 2.252 . . . . 0.0 112.305 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.2 -20.82 57.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' HB1' ' HG2' ' A' ' 4' ' ' PRO . . . -72.21 -8.88 57.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -105.85 -26.0 11.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.588 HG12 ' HA ' ' A' ' 65' ' ' ALA . 22.2 m -112.86 175.32 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.163 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.63 ' HB2' HD11 ' A' ' 66' ' ' LEU . 50.2 tttp -155.92 126.2 6.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HA ' HG12 ' A' ' 63' ' ' VAL . 11.3 pttp -51.84 147.77 6.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 tp -127.97 107.56 9.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -153.16 112.94 3.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.5 26.58 9.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.806 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.16 33.93 3.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.1 p -89.69 -38.83 13.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 111.159 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.53 -32.18 6.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.478 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.24 179.37 6.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.734 0.302 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -127.84 76.44 1.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.459 ' H ' HD23 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -114.45 149.83 35.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.755 HG11 HD23 ' A' ' 26' ' ' LEU . 16.3 m -122.33 159.82 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.639 HD11 ' CA ' ' A' ' 21' ' ' GLY . 12.8 tp -128.4 139.42 52.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.588 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -76.32 137.95 40.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.63 HD11 ' HB2' ' A' ' 52' ' ' LYS . 66.2 mt -97.92 -44.92 6.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.699 ' CD2' ' HB2' ' A' ' 3' ' ' ALA . 40.4 m-85 -108.5 176.18 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -100.92 122.97 44.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -130.22 144.2 51.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -119.99 142.96 48.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -66.11 126.63 29.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.6 21.86 7.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 56.7 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.901 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 ptt? . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.819 0.342 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.05 46.57 4.72 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.667 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -91.51 160.41 36.81 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.578 0.704 . . . . 0.0 111.122 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.2 Cg_endo -69.78 167.53 24.19 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.34 56.62 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.645 2.23 . . . . 0.0 112.326 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mt -64.61 159.21 62.8 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.643 0.735 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 167.0 25.8 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.305 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -88.48 -170.01 2.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.4 p -159.22 145.61 16.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.665 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . . . -51.65 -65.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.78 76.98 1.25 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.52 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.02 -172.12 39.78 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.519 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -56.28 143.8 32.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -125.75 -174.09 3.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.1 m -141.5 135.84 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 m -73.6 134.86 43.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.551 ' HG2' HG11 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -140.29 147.3 39.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.461 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 33.7 mtpt -137.14 157.22 47.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -51.5 117.25 2.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.597 ' CA ' HD11 ' A' ' 64' ' ' LEU . . . 100.95 6.95 51.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.471 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.555 ' O ' HD12 ' A' ' 64' ' ' LEU . 3.0 m-20 -97.8 134.87 40.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.766 0.317 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.8 mm -91.76 136.97 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 18' ' ' MET . 3.0 mp -135.75 129.28 32.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 83.9 m -71.56 119.59 15.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.813 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -69.68 130.94 43.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.566 ' N ' HD13 ' A' ' 26' ' ' LEU . 25.6 mt -117.71 -52.43 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -139.8 139.84 36.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 p -137.41 35.05 2.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.8 p -60.45 -43.85 96.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.144 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -82.45 148.06 28.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -93.67 18.02 10.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -136.4 -41.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -114.15 125.79 54.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.499 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.4 m0 -116.48 128.54 55.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -85.54 115.37 23.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.813 HG12 ' HA ' ' A' ' 26' ' ' LEU . 30.4 m -132.9 -179.55 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -130.14 120.86 25.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 p -139.96 147.11 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 56.71 43.44 25.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 58.47 21.8 8.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -127.62 157.03 41.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.67 146.83 44.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.4 -167.5 38.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.517 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.665 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 40.4 p90 -122.46 145.62 48.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.895 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.551 HG11 ' HG2' ' A' ' 18' ' ' MET . 3.3 m -139.56 156.13 71.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 117.52 5.13 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.343 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.96 -21.15 57.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.501 ' HB1' ' HG2' ' A' ' 4' ' ' PRO . . . -71.31 -9.71 58.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.145 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -106.07 -25.52 12.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.613 HG12 ' HA ' ' A' ' 65' ' ' ALA . 20.4 m -114.54 -178.7 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.638 ' HB2' HD11 ' A' ' 66' ' ' LEU . 34.9 ttmt -163.11 136.11 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.653 ' HA ' HG12 ' A' ' 63' ' ' VAL . 20.0 tttp -52.05 149.84 4.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.8 tt -133.19 98.27 4.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -135.49 117.44 15.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.4 m -101.51 26.52 7.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.44 -18.99 55.89 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 t -51.79 -29.81 20.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.842 0.353 . . . . 0.0 111.195 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.18 -27.84 18.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -51.96 143.85 12.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.705 0.288 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -104.43 86.39 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.97 151.07 48.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.653 HG12 ' HA ' ' A' ' 53' ' ' LYS . 17.2 m -123.33 152.24 28.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.597 HD11 ' CA ' ' A' ' 21' ' ' GLY . 17.6 tp -119.98 146.98 45.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.613 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -80.12 136.76 36.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.638 HD11 ' HB2' ' A' ' 52' ' ' LYS . 48.0 mt -96.8 -43.54 7.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.667 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 44.2 m-85 -110.43 -171.84 1.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -110.89 122.36 47.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -128.01 144.46 51.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -115.24 145.44 42.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -65.21 147.26 53.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.66 33.48 2.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.882 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.2 mtm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.779 0.323 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.48 44.5 41.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.649 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . . . -90.5 160.48 39.11 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.7 Cg_endo -69.76 167.71 23.66 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.248 . . . . 0.0 112.329 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 139.53 40.5 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.355 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.549 HD23 ' HD2' ' A' ' 7' ' ' PRO . 0.3 OUTLIER -65.03 160.67 54.44 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.636 0.731 . . . . 0.0 110.882 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.549 ' HD2' HD23 ' A' ' 6' ' ' LEU . 53.8 Cg_endo -69.78 167.74 23.59 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.731 2.288 . . . . 0.0 112.337 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -47.99 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.638 2.225 . . . . 0.0 112.334 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -87.62 -170.62 3.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.8 p -147.33 139.15 24.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.48 -30.52 30.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.39 -57.98 4.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.496 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.57 158.88 3.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.515 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -54.35 115.15 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.822 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -73.95 -176.29 2.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.6 m -140.28 135.06 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.586 HG23 ' HA ' ' A' ' 70' ' ' GLN . 5.8 m -62.33 132.41 52.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.2 ptm -130.45 111.78 12.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.494 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -95.15 146.1 24.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 116.19 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.19 12.41 54.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -90.04 137.44 32.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.761 0.315 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.6 mt -94.22 103.05 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.523 HD22 HG21 ' A' ' 37' ' ' VAL . 4.7 mp -97.67 132.42 43.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.9 m -71.3 109.57 5.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.811 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -62.08 123.56 18.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.47 ' N ' HD13 ' A' ' 26' ' ' LEU . 18.5 mt -108.88 -49.25 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -145.83 135.35 23.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 p -127.6 23.85 6.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 t -51.73 -31.8 27.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -92.97 174.49 7.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -114.24 -20.35 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -107.01 -35.75 6.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -113.96 120.03 39.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.517 ' CE3' HD21 ' A' ' 26' ' ' LEU . 4.8 m0 -117.57 132.7 56.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.54 119.93 29.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.811 HG12 ' HA ' ' A' ' 26' ' ' LEU . 33.7 m -139.74 173.14 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -123.55 120.66 33.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 p -143.63 146.67 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 54.83 44.01 29.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.6 t70 56.8 24.71 9.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -136.73 130.42 31.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -104.44 138.73 40.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.67 -175.06 41.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -99.13 144.45 28.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -143.11 156.52 61.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 108.88 2.18 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.634 2.223 . . . . 0.0 112.376 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.52 -24.32 45.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.04 -11.75 61.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -100.05 -23.14 14.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 65' ' ' ALA . 33.3 m -116.25 -179.23 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.78 ' HB2' HD11 ' A' ' 66' ' ' LEU . 21.3 ttmt -160.59 138.14 9.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.666 ' HA ' HG12 ' A' ' 63' ' ' VAL . 32.1 mtmm -57.28 145.41 32.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.653 HD12 ' HB2' ' A' ' 64' ' ' LEU . 4.4 tt -118.4 97.46 5.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -135.07 115.07 13.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 t -118.16 -30.2 5.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.31 38.75 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.7 t -115.21 -33.31 5.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.846 0.355 . . . . 0.0 111.167 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.86 -26.75 15.03 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -52.2 167.06 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.732 0.301 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -115.93 75.0 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.501 ' H ' HD23 ' A' ' 62' ' ' LEU . 1.7 pt? -123.98 149.84 45.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.666 HG12 ' HA ' ' A' ' 53' ' ' LYS . 18.8 m -127.71 141.47 46.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.653 ' HB2' HD12 ' A' ' 54' ' ' LEU . 7.3 tp -105.82 141.71 36.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.652 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -75.06 137.55 41.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.78 HD11 ' HB2' ' A' ' 52' ' ' LYS . 43.6 mt -98.52 -40.59 8.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.649 ' CD2' ' HB2' ' A' ' 3' ' ' ALA . 46.2 m-85 -115.78 170.72 8.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -94.81 121.3 36.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -148.46 148.42 30.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.586 ' HA ' HG23 ' A' ' 17' ' ' THR . 1.2 mp0 -122.24 158.87 28.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.42 129.02 38.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -107.06 79.65 1.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.913 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 ttp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.805 0.336 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.63 38.43 20.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.672 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . . . -87.64 160.39 47.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.589 0.709 . . . . 0.0 111.108 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.566 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.2 Cg_endo -69.76 167.75 23.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 139.54 40.37 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.633 2.222 . . . . 0.0 112.353 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.424 HD23 ' HD2' ' A' ' 7' ' ' PRO . 1.3 mt -67.87 159.49 78.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.424 ' HD2' HD23 ' A' ' 6' ' ' LEU . 53.9 Cg_endo -69.73 167.73 23.57 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.34 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -48.17 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.7 2.267 . . . . 0.0 112.33 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -87.65 -169.96 2.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.9 t -146.65 168.24 21.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.27 -40.41 67.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.113 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.09 -66.92 0.34 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.51 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.04 169.38 1.31 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -55.63 156.28 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -116.45 176.19 5.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.493 ' CG2' HG12 ' A' ' 39' ' ' VAL . 34.8 m -138.99 133.43 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.514 HG23 ' HA ' ' A' ' 70' ' ' GLN . 5.0 m -61.64 140.32 58.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.534 ' HE1' HG13 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -143.68 136.46 27.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.449 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 16.2 ptmt -121.24 144.54 48.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.76 126.14 17.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.535 ' HA2' HD11 ' A' ' 64' ' ' LEU . . . 105.6 -14.6 46.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.483 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -87.32 135.68 33.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.2 mt -94.98 104.16 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.725 HD22 ' HB ' ' A' ' 39' ' ' VAL . 3.5 mt -88.81 141.8 28.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 m -74.28 109.84 8.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.794 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.4 OUTLIER -64.02 118.54 8.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.1 mt -101.19 -51.65 3.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -148.94 140.14 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -129.87 33.03 4.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.9 p -51.51 -43.52 62.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.171 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.23 -179.25 7.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -113.29 -23.05 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -113.41 -23.46 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -114.0 112.04 22.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -116.34 131.26 56.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -91.78 120.45 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.794 HG12 ' HA ' ' A' ' 26' ' ' LEU . 34.9 m -135.12 177.96 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -122.52 121.31 36.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.725 ' HB ' HD22 ' A' ' 24' ' ' LEU . 14.0 p -144.5 146.71 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 56.41 40.78 29.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.29 23.05 11.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.442 ' O ' HG11 ' A' ' 16' ' ' VAL . 3.9 mmp_? -135.14 137.15 42.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.532 ' NE2' ' H ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -104.3 138.64 40.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -172.63 -176.41 41.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.497 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -100.47 151.74 21.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -151.24 156.49 35.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.585 0.707 . . . . 0.0 111.12 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 108.38 2.06 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.626 2.217 . . . . 0.0 112.386 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.509 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -54.86 -30.53 58.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.9 -17.72 57.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.072 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -93.55 -22.1 19.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.558 HG12 ' HA ' ' A' ' 65' ' ' ALA . 18.9 m -116.02 -173.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.093 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.644 ' HB2' HD11 ' A' ' 66' ' ' LEU . 16.6 ttmt -161.7 129.07 4.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.699 ' O ' HD22 ' A' ' 54' ' ' LEU . 19.1 pttp -68.07 132.65 47.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.699 HD22 ' O ' ' A' ' 53' ' ' LYS . 1.9 mm? -137.44 177.76 7.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -148.39 164.76 33.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 p -112.28 -26.13 8.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 124.99 31.99 0.83 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.549 HG23 ' H ' ' A' ' 60' ' ' LYS . 1.9 t -120.73 -32.28 4.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 111.131 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.88 -19.4 8.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.51 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.549 ' H ' HG23 ' A' ' 58' ' ' THR . 6.4 mptt -53.59 171.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.738 0.304 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -120.97 80.98 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.49 ' H ' HD23 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -108.49 153.25 23.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.681 HG11 HD23 ' A' ' 26' ' ' LEU . 16.9 m -131.81 136.81 56.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.535 HD11 ' HA2' ' A' ' 21' ' ' GLY . 1.3 tt -107.75 142.35 37.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.558 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -76.17 142.77 41.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.644 HD11 ' HB2' ' A' ' 52' ' ' LYS . 82.1 mt -103.71 -37.9 7.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.672 ' CD2' ' HB2' ' A' ' 3' ' ' ALA . 64.1 m-85 -115.43 -174.75 2.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -106.38 125.29 50.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -140.85 150.76 43.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.514 ' HA ' HG23 ' A' ' 17' ' ' THR . 2.9 pm0 -140.72 147.02 38.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -54.53 119.09 4.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -92.78 77.41 4.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 -179.885 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ttt . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.882 0.373 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.35 46.21 7.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.732 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -93.71 160.41 32.77 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.568 0.699 . . . . 0.0 111.096 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.2 Cg_endo -69.77 167.73 23.61 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.636 2.224 . . . . 0.0 112.369 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 145.6 57.35 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.636 2.224 . . . . 0.0 112.364 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.467 HD23 ' HD2' ' A' ' 7' ' ' PRO . 0.8 OUTLIER -69.34 159.84 81.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.911 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.467 ' HD2' HD23 ' A' ' 6' ' ' LEU . 53.7 Cg_endo -69.78 167.65 23.86 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.736 2.29 . . . . 0.0 112.325 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.32 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.641 2.228 . . . . 0.0 112.34 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -87.35 -172.05 3.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 m -146.74 141.32 26.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.96 -36.53 49.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.36 -52.06 1.59 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.6 167.04 5.45 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.87 121.74 16.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 0.0 110.885 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -73.13 -179.59 3.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.1 m -141.47 133.71 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.6 m -54.8 126.51 24.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.401 ' HB3' HD21 ' A' ' 24' ' ' LEU . 5.6 ptm -134.12 129.19 35.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 22.9 ttpt -122.96 147.86 46.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.06 130.55 30.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.696 ' HA2' HD21 ' A' ' 64' ' ' LEU . . . 92.08 -5.13 78.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.49 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -84.68 142.85 29.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.783 0.325 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 63.2 mt -98.89 113.27 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.543 HD22 HG21 ' A' ' 37' ' ' VAL . 4.5 mp -106.97 133.0 52.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 m -70.95 104.81 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.79 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.4 OUTLIER -59.97 132.65 54.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.608 ' N ' HD13 ' A' ' 26' ' ' LEU . 49.3 mt -124.23 -59.26 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -118.12 133.71 55.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.461 ' HB3' HD11 ' A' ' 26' ' ' LEU . 86.2 p -138.01 24.45 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.4 p -62.42 -36.69 83.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.179 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -85.6 178.35 7.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -120.31 -8.01 9.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -118.07 -37.63 3.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -114.02 118.38 33.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.601 ' CE3' HD21 ' A' ' 26' ' ' LEU . 5.9 m0 -116.98 143.21 45.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -98.7 122.67 42.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.79 HG12 ' HA ' ' A' ' 26' ' ' LEU . 33.1 m -139.85 171.99 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -122.24 114.6 21.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.8 p -137.09 146.77 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 55.74 42.98 28.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.2 t70 57.69 23.44 9.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.5 mmt-85 -134.88 131.73 37.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.34 138.67 40.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.89 -174.29 40.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -98.17 153.4 18.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.841 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -154.36 156.53 31.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.658 0.742 . . . . 0.0 111.103 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 108.09 2.0 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.7 2.266 . . . . 0.0 112.327 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.432 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -55.83 -25.4 41.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.08 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.73 -17.56 64.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -93.2 -25.47 17.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.566 HG12 ' HA ' ' A' ' 65' ' ' ALA . 19.2 m -112.84 -176.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.814 ' HB2' HD11 ' A' ' 66' ' ' LEU . 31.2 tttt -162.29 133.2 4.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.582 ' HA ' HG12 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -68.49 144.03 54.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 53' ' ' LYS . 1.8 mp -134.55 174.46 10.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -158.35 148.81 20.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.22 26.16 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.66 -27.75 11.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.526 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 t -51.79 -31.78 28.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 111.119 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.16 -19.71 47.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -55.59 176.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.33 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -114.15 74.14 0.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.544 ' H ' HD23 ' A' ' 62' ' ' LEU . 1.3 pt? -104.59 144.85 31.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.697 HG11 HD23 ' A' ' 26' ' ' LEU . 16.4 m -130.42 141.79 45.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.696 HD21 ' HA2' ' A' ' 21' ' ' GLY . 2.9 tp -113.25 148.79 34.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.566 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -79.36 144.45 34.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.814 HD11 ' HB2' ' A' ' 52' ' ' LYS . 19.5 mt -102.92 -45.28 5.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.732 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 42.4 m-85 -110.83 -178.68 3.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -103.72 129.36 51.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -144.63 148.65 34.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -125.35 157.98 35.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -87.87 128.31 35.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.03 48.77 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.4 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.867 -179.912 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 mmm . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.798 0.332 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.68 45.18 7.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.733 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -93.41 160.4 33.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.595 0.712 . . . . 0.0 111.098 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.8 Cg_endo -69.74 167.7 23.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.353 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 146.06 58.93 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mt -77.12 159.11 78.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.581 0.705 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 167.59 23.98 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.722 2.281 . . . . 0.0 112.343 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -48.2 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.645 2.23 . . . . 0.0 112.357 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -88.33 -170.01 2.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 m -150.74 151.88 33.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.77 -178.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.7 -78.44 1.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.19 161.73 2.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.93 160.73 1.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.774 0.321 . . . . 0.0 110.882 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -98.42 -177.69 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.485 HG11 ' O ' ' A' ' 42' ' ' ARG . 9.8 m -135.77 135.33 51.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 m -65.25 125.58 25.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.7 ptm -127.07 136.05 51.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.426 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 33.5 mtmt -125.55 147.27 49.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -51.77 112.36 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.698 ' HA2' HD11 ' A' ' 64' ' ' LEU . . . 107.17 6.84 33.64 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.469 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.4 ' O ' HD12 ' A' ' 64' ' ' LEU . 1.3 m-20 -96.99 138.94 33.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 110.86 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.8 mp -98.99 117.36 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.557 HD22 HG21 ' A' ' 37' ' ' VAL . 3.6 mp -109.57 142.55 40.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.0 m -79.92 109.31 14.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.806 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -61.09 133.61 56.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.961 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.665 HD13 ' HE3' ' A' ' 36' ' ' LYS . 11.0 mt -124.07 -54.1 1.72 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.559 ' OD1' HG23 ' A' ' 30' ' ' THR . 1.7 t-20 -128.9 131.55 47.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.405 ' HB3' HD11 ' A' ' 26' ' ' LEU . 87.7 p -133.23 39.72 3.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.559 HG23 ' OD1' ' A' ' 28' ' ' ASN . 25.7 p -68.25 -58.21 4.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -80.19 152.07 29.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -95.55 24.21 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -138.44 -43.45 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -113.95 110.09 19.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.626 ' CE3' HD21 ' A' ' 26' ' ' LEU . 6.7 m0 -108.2 138.9 43.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.665 ' HE3' HD13 ' A' ' 27' ' ' LEU . 2.4 tmmm? -96.89 122.06 39.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.806 HG12 ' HA ' ' A' ' 26' ' ' LEU . 24.9 m -140.01 172.99 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -124.06 115.18 20.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 p -138.14 146.72 26.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 55.51 42.62 29.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 58.06 24.04 10.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.485 ' O ' HG11 ' A' ' 16' ' ' VAL . 25.1 mmt180 -136.14 131.74 35.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -104.43 138.8 40.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.95 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.75 -175.32 38.72 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -107.53 125.55 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 m -122.46 156.69 60.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.633 0.73 . . . . 0.0 111.145 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 114.35 3.68 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.8 -20.14 54.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.48 -7.76 53.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -105.19 -24.88 12.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' ' 65' ' ' ALA . 18.0 m -114.31 -175.74 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.766 ' HB2' HD11 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -163.12 132.62 4.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.641 ' HA ' HG12 ' A' ' 63' ' ' VAL . 26.5 ttmt -51.85 149.51 4.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 tt -137.49 93.48 2.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -127.0 156.43 41.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.7 m -119.32 -36.13 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 132.45 42.09 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.464 HG23 ' H ' ' A' ' 60' ' ' LYS . 15.0 t -115.58 -30.74 6.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 111.113 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.94 -42.29 1.39 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.464 ' H ' HG23 ' A' ' 58' ' ' THR . 0.3 OUTLIER -52.07 144.13 12.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 0.0 110.853 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -116.52 97.41 5.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -131.68 151.47 51.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.756 HG11 HD23 ' A' ' 26' ' ' LEU . 16.8 m -126.09 152.75 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.698 HD11 ' HA2' ' A' ' 21' ' ' GLY . 16.3 tp -117.21 144.37 44.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.609 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -82.09 136.03 35.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.766 HD11 ' HB2' ' A' ' 52' ' ' LYS . 13.0 mt -96.54 -49.1 5.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.733 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 38.3 m-85 -108.16 168.7 9.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -95.15 122.42 37.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -131.72 149.52 52.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -115.67 160.68 19.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -76.8 92.89 3.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.61 46.12 27.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.891 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.791 0.329 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.0 42.23 11.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.753 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -93.4 160.35 33.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.546 0.689 . . . . 0.0 111.118 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.569 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.8 Cg_endo -69.73 167.74 23.52 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 139.86 41.26 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.653 2.235 . . . . 0.0 112.353 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.435 HD23 ' HD2' ' A' ' 7' ' ' PRO . 1.2 mt -64.66 159.6 60.06 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.674 0.75 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.435 ' HD2' HD23 ' A' ' 6' ' ' LEU . 53.6 Cg_endo -69.78 167.8 23.41 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.64 2.226 . . . . 0.0 112.385 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -42.08 3.65 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -86.46 -174.87 5.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.6 p -150.48 127.68 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.88 130.14 28.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.92 -34.33 89.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.9 156.5 53.44 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.51 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -58.72 160.68 5.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.748 0.308 . . . . 0.0 110.892 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -102.61 177.64 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.9 m -144.5 133.18 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 m -60.76 118.34 6.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.4 ptm -120.6 140.94 50.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -127.5 143.58 51.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 130.41 29.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.508 ' HA2' HD11 ' A' ' 64' ' ' LEU . . . 94.02 -6.99 73.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.528 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.49 138.02 31.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.778 0.323 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.448 HG21 HD12 ' A' ' 62' ' ' LEU . 31.0 mt -98.31 109.45 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.151 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.554 HD22 HG21 ' A' ' 37' ' ' VAL . 4.6 mp -95.92 141.17 29.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 m -73.88 104.92 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.799 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -60.49 135.09 57.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.589 ' N ' HD13 ' A' ' 26' ' ' LEU . 21.4 mt -127.59 -56.32 1.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -120.98 129.93 53.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.458 ' HB3' HD11 ' A' ' 26' ' ' LEU . 60.2 p -137.77 34.44 2.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.3 t -73.6 -35.45 65.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.16 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -86.26 169.56 12.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -114.56 12.24 17.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.57 -43.55 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -113.74 120.69 41.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.657 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.3 m0 -116.38 141.42 48.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.579 ' NZ ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -96.67 121.57 38.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.799 HG12 ' HA ' ' A' ' 26' ' ' LEU . 22.6 m -139.12 176.13 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -123.35 118.43 27.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.645 HG22 HD22 ' A' ' 40' ' ' ASN . 14.7 p -144.61 146.77 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.645 HD22 HG22 ' A' ' 39' ' ' VAL . 1.5 m-80 59.0 38.47 24.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 62.0 17.51 9.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -135.89 137.81 41.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.58 154.63 20.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 174.5 -175.7 46.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -99.2 144.42 28.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 m -145.25 156.92 53.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.667 0.746 . . . . 0.0 111.111 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 110.42 2.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.487 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -57.76 -30.29 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.87 -16.74 59.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -93.2 -21.9 19.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.578 HG12 ' HA ' ' A' ' 65' ' ' ALA . 20.1 m -115.09 -174.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.675 ' HB2' HD11 ' A' ' 66' ' ' LEU . 36.4 tttp -162.49 131.43 4.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.645 ' HA ' HG12 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -52.24 142.91 15.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.5 tp -117.81 97.18 5.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -127.86 96.48 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.3 m -103.54 26.74 8.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.91 44.87 3.5 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.524 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.3 t -115.57 -32.55 5.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.831 0.348 . . . . 0.0 111.137 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.64 -26.07 17.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -59.78 178.13 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.751 0.31 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -121.72 69.93 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.504 ' H ' HD23 ' A' ' 62' ' ' LEU . 1.5 pt? -117.01 146.21 43.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.645 HG12 ' HA ' ' A' ' 53' ' ' LYS . 17.5 m -128.12 146.06 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.508 HD11 ' HA2' ' A' ' 21' ' ' GLY . 4.5 tt -110.61 139.32 45.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.578 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -78.03 140.78 39.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.675 HD11 ' HB2' ' A' ' 52' ' ' LYS . 54.2 mt -100.73 -44.66 5.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.753 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 34.7 m-85 -112.46 154.77 25.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -81.51 127.82 33.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -140.23 145.69 37.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -114.83 158.34 22.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.25 137.43 58.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -150.92 106.7 3.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.2 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.888 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ptt? . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.869 0.366 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.16 66.71 1.59 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.59 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . -102.26 160.34 26.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.701 . . . . 0.0 111.108 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.59 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.1 Cg_endo -69.74 167.68 23.72 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 144.14 53.42 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.273 . . . . 0.0 112.385 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.5 159.16 62.3 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.651 0.739 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 167.69 23.69 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -47.76 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.649 2.233 . . . . 0.0 112.38 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -87.37 -170.15 2.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.5 p -151.8 145.67 25.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.698 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . . . -63.19 -169.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.17 87.49 0.18 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.1 -137.91 4.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -114.16 148.1 37.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -100.57 -175.79 3.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.45 HG13 ' HA3' ' A' ' 44' ' ' GLY . 6.2 m -145.28 130.07 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -61.07 119.16 7.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.58 147.97 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.5 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 6.3 tppt? -121.14 144.07 48.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -56.98 107.25 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.33 14.03 29.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -93.03 144.09 25.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.77 0.319 . . . . 0.0 110.854 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 64.3 mt -92.99 110.34 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.538 HD22 HG21 ' A' ' 37' ' ' VAL . 4.5 mp -106.3 139.71 40.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.2 m -75.54 105.71 6.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.805 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -60.61 132.07 52.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.621 ' N ' HD13 ' A' ' 26' ' ' LEU . 29.0 mt -123.79 -56.15 1.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -122.83 131.29 53.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.525 ' HB3' HD11 ' A' ' 26' ' ' LEU . 92.1 p -138.21 31.4 2.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.0 p -69.82 -39.54 76.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -83.46 168.77 16.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -114.53 14.64 17.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.49 -44.43 0.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -114.05 119.65 37.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.531 ' CE3' HD21 ' A' ' 26' ' ' LEU . 6.7 m0 -113.81 140.2 48.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -95.92 120.92 37.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.805 HG12 ' HA ' ' A' ' 26' ' ' LEU . 30.1 m -139.99 170.66 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -119.67 119.93 35.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -143.02 146.73 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 55.61 42.98 28.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 57.57 23.64 9.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -135.66 132.71 37.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.34 138.65 40.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.45 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -171.58 -170.47 35.65 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.698 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 44.9 p90 -108.79 143.61 37.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.934 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.14 156.42 64.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.593 0.711 . . . . 0.0 111.179 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 111.66 2.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.302 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.55 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -56.82 -27.45 60.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.94 -15.11 61.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.053 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -97.91 -22.28 16.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.963 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.55 HG22 ' HA ' ' A' ' 48' ' ' ALA . 19.3 m -114.16 -175.68 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.807 ' HB3' HD21 ' A' ' 66' ' ' LEU . 26.6 tptt -161.07 125.23 3.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.521 ' HA ' HG12 ' A' ' 63' ' ' VAL . 16.1 ptpt -51.89 150.12 4.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 tp -135.53 95.96 3.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -137.4 137.22 38.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.7 m -104.81 -32.55 8.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.39 53.23 0.11 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.3 t -119.87 -34.47 3.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 111.189 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.87 -59.51 0.51 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -52.58 141.34 20.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.783 0.325 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -111.12 85.23 2.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.501 ' H ' HD23 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -108.97 153.53 23.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.769 HG11 HD23 ' A' ' 26' ' ' LEU . 16.9 m -127.96 148.02 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.6 tp -117.07 135.82 53.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 19' ' ' LYS . . . -73.23 153.15 40.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.807 HD21 ' HB3' ' A' ' 52' ' ' LYS . 21.5 mt -108.73 -46.69 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -119.62 147.06 44.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -66.03 139.19 58.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -159.08 149.14 19.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -138.71 160.67 39.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -52.05 144.85 11.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -118.74 39.56 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.903 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpt . . . . . 0 N--CA 1.458 -0.043 0 CA-C-O 120.8 0.333 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.54 44.7 4.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.719 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -87.86 160.38 46.92 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.609 0.719 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.1 Cg_endo -69.75 167.64 23.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 0.0 112.395 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 145.77 58.24 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.751 2.301 . . . . 0.0 112.319 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mt -65.76 159.16 71.01 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.635 0.731 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 167.73 23.6 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -48.05 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.73 2.287 . . . . 0.0 112.339 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -87.08 -173.34 4.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.1 t -146.09 152.75 39.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.406 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . . . -57.43 -69.21 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.084 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.17 62.76 0.46 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.64 -147.79 7.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -98.45 135.25 40.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.774 0.321 . . . . 0.0 110.915 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -95.92 -173.48 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.555 HG13 ' HA3' ' A' ' 44' ' ' GLY . 11.1 m -145.6 129.9 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.6 m -58.49 129.06 40.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.9 ptm -131.95 136.05 47.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -114.22 141.12 47.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -55.0 110.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.496 ' O ' HD11 ' A' ' 64' ' ' LEU . . . 107.4 7.19 32.71 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.496 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -93.09 136.29 33.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.343 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.6 mt -88.56 106.62 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.777 HD22 ' HB ' ' A' ' 39' ' ' VAL . 4.1 mt -100.01 134.05 43.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 m -67.21 107.38 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.752 HD23 HG11 ' A' ' 63' ' ' VAL . 0.5 OUTLIER -63.62 131.52 48.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.622 ' N ' HD13 ' A' ' 26' ' ' LEU . 16.7 mt -119.62 -56.9 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.39 135.97 50.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.536 ' OG ' HD11 ' A' ' 26' ' ' LEU . 12.5 m -140.0 37.72 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.4 t -76.91 -35.71 57.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -80.03 165.64 22.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -114.36 27.64 9.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -152.17 -45.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -114.03 115.85 28.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.499 ' CE3' HD21 ' A' ' 26' ' ' LEU . 6.7 m0 -108.54 143.45 37.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -96.07 116.14 28.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.728 HG12 ' HA ' ' A' ' 26' ' ' LEU . 31.0 m -132.71 175.57 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -125.15 115.4 20.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.777 ' HB ' HD22 ' A' ' 24' ' ' LEU . 14.7 p -131.83 146.75 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 55.76 41.33 30.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 59.27 24.35 12.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -130.79 144.69 51.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.46 138.27 41.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.555 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -174.05 -174.8 41.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.406 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 38.3 p90 -109.34 156.53 19.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 m -154.52 156.57 31.72 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.628 0.728 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 109.89 2.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 2.273 . . . . 0.0 112.38 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.513 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -55.17 -28.57 53.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.67 -16.02 59.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.073 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -96.53 -26.19 15.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.513 HG22 ' HA ' ' A' ' 48' ' ' ALA . 19.3 m -111.42 -174.0 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.793 ' HB3' HD21 ' A' ' 66' ' ' LEU . 63.1 tttp -162.64 133.53 4.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.585 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.9 ttpm? -66.36 148.65 51.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 53' ' ' LYS . 1.4 mp -152.72 175.4 12.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.717 ' HA ' HD21 ' A' ' 62' ' ' LEU . 47.2 m-20 -147.23 152.84 39.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 m -110.22 20.91 17.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.13 18.79 58.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.449 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.499 HG23 ' H ' ' A' ' 60' ' ' LYS . 1.8 t -113.65 -31.25 6.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.804 0.335 . . . . 0.0 111.124 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.34 -14.94 54.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.499 ' H ' HG23 ' A' ' 58' ' ' THR . 0.1 OUTLIER -51.74 156.36 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 110.878 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -89.22 78.42 7.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.717 HD21 ' HA ' ' A' ' 55' ' ' ASP . 1.4 pt? -114.84 143.67 44.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.752 HG11 HD23 ' A' ' 26' ' ' LEU . 17.7 m -131.75 141.42 45.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.496 HD11 ' O ' ' A' ' 21' ' ' GLY . 4.5 tp -112.96 138.92 49.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.496 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -72.61 149.63 43.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.793 HD21 ' HB3' ' A' ' 52' ' ' LYS . 21.4 mt -106.84 -44.54 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.719 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 36.3 m-85 -113.23 173.49 6.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -93.86 133.87 36.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -154.75 135.59 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -123.09 146.59 47.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -52.81 121.64 7.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -98.26 26.98 4.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.7 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.907 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 mtt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.813 0.339 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.43 51.65 25.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.598 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . -93.07 160.44 33.59 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.579 0.704 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.598 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.7 Cg_endo -69.7 167.69 23.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.49 40.34 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mp -66.51 160.43 66.85 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.721 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 167.76 23.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -44.8 1.85 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.717 2.278 . . . . 0.0 112.362 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -85.59 -170.1 2.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 m -154.1 140.79 19.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.582 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . . . -57.52 -179.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.188 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.8 83.14 0.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 168.94 -154.67 24.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -102.44 128.61 48.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.83 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -81.5 -177.63 6.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.602 HG13 ' HA3' ' A' ' 44' ' ' GLY . 6.3 m -139.31 131.31 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 36.2 m -60.08 123.53 17.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.3 ptm -123.72 129.06 50.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -107.18 134.27 50.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -53.38 114.11 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.597 ' CA ' HD21 ' A' ' 64' ' ' LEU . . . 109.62 0.61 30.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.53 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -99.37 140.24 33.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.596 HG12 HD12 ' A' ' 64' ' ' LEU . 61.2 mt -89.71 130.84 38.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.79 HD22 ' HB ' ' A' ' 39' ' ' VAL . 4.5 mt -116.79 136.86 52.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 m -70.41 104.08 2.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.791 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -61.13 132.29 53.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.616 ' N ' HD13 ' A' ' 26' ' ' LEU . 21.8 mt -121.82 -57.78 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.439 ' OD1' HG22 ' A' ' 30' ' ' THR . 1.9 t-20 -126.87 132.52 50.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 p -141.42 26.06 1.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.439 HG22 ' OD1' ' A' ' 28' ' ' ASN . 5.9 t -63.14 -27.53 69.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.191 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -97.81 175.95 5.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.7 pttm -123.71 25.91 7.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.17 -60.98 0.94 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -113.93 112.66 23.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.456 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.6 m0 -98.54 137.03 37.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -91.2 116.81 29.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.791 HG12 ' HA ' ' A' ' 26' ' ' LEU . 32.5 m -134.85 174.91 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.086 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -121.72 115.63 23.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.79 ' HB ' HD22 ' A' ' 24' ' ' LEU . 14.9 p -134.4 146.74 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.194 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 55.92 41.98 29.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 58.2 23.69 10.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -131.16 145.66 52.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.53 138.27 41.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.602 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -172.97 -166.22 31.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 14.3 p90 -121.96 159.16 27.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 m -154.58 156.81 31.92 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.602 0.715 . . . . 0.0 111.139 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 115.68 4.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.244 . . . . 0.0 112.337 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.42 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -57.06 -22.89 42.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.503 ' HB1' ' HG2' ' A' ' 4' ' ' PRO . . . -69.2 -11.38 60.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -104.97 -25.92 12.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.964 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 65' ' ' ALA . 35.0 m -111.1 179.58 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.177 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.754 ' HB2' HD11 ' A' ' 66' ' ' LEU . 33.8 tttt -163.2 131.41 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.527 ' HA ' HG12 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -54.1 151.1 7.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.2 tp -132.94 104.59 6.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -158.3 150.41 21.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 t -115.66 -28.94 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 145.11 47.98 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.1 t -110.77 -24.73 10.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 0.0 111.166 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.5 -39.45 2.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -52.39 144.85 12.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.789 0.328 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -108.89 77.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.498 ' H ' HD23 ' A' ' 62' ' ' LEU . 1.4 pt? -115.47 142.54 46.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.664 HG11 HD23 ' A' ' 26' ' ' LEU . 15.1 m -125.55 156.13 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.597 HD21 ' CA ' ' A' ' 21' ' ' GLY . 1.1 tt -125.09 158.39 33.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.557 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -91.21 139.31 30.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 52' ' ' LYS . 41.9 mt -97.88 -47.42 5.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -108.87 -177.54 3.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.957 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -102.79 132.56 48.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -152.85 143.92 23.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -137.63 150.02 47.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -55.23 133.88 49.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -114.22 59.16 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.867 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.49 55.72 14.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.446 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.585 ' HB1' ' HD2' ' A' ' 4' ' ' PRO . . . -92.51 160.45 34.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 111.114 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.585 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.6 Cg_endo -69.8 167.68 23.81 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 2.283 . . . . 0.0 112.32 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 139.35 39.98 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.661 2.241 . . . . 0.0 112.389 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.432 HD23 ' HD2' ' A' ' 7' ' ' PRO . 1.4 mt -65.88 159.47 69.46 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.582 0.706 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.432 ' HD2' HD23 ' A' ' 6' ' ' LEU . 53.7 Cg_endo -69.72 167.74 23.52 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -47.63 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.361 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -87.38 -170.11 2.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -149.46 139.41 21.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.2 129.47 42.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.082 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.23 -38.53 68.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.0 158.98 46.97 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.44 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.52 159.19 25.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 110.902 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -97.44 178.77 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.2 m -139.17 134.0 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.7 m -54.21 115.33 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.9 ptm -112.76 115.07 27.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.54 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 79.5 mttt -89.85 145.13 25.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -58.73 110.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.49 12.2 42.19 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -89.09 145.09 25.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.648 HG23 HD12 ' A' ' 62' ' ' LEU . 63.4 mt -93.17 108.07 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.464 HD22 HG21 ' A' ' 37' ' ' VAL . 4.5 mp -103.14 138.56 39.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.9 m -79.62 109.85 14.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.749 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -62.67 134.74 56.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.652 HD13 ' NZ ' ' A' ' 36' ' ' LYS . 21.7 mt -125.86 -48.33 1.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.969 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -134.37 132.87 39.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.5 p -140.3 28.2 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.6 t -59.86 -27.79 66.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.152 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -98.94 -175.98 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -125.09 -0.82 7.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -118.85 -41.2 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -113.98 117.81 32.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.62 ' CE3' HD21 ' A' ' 26' ' ' LEU . 6.1 m0 -116.7 136.17 53.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.652 ' NZ ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -95.16 122.23 37.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.958 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.749 HG12 ' HA ' ' A' ' 26' ' ' LEU . 19.8 m -139.96 176.26 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -125.68 117.19 22.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.6 p -137.65 146.69 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 56.46 41.74 28.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 59.07 22.59 10.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -131.03 134.64 46.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.42 138.58 40.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.56 -170.72 38.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -107.0 154.44 21.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.906 0.384 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 m -153.63 156.48 32.3 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.626 0.727 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 110.96 2.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.351 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.4 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -57.94 -24.7 59.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.107 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.6 -12.06 60.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -99.95 -19.38 16.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' A' ' 65' ' ' ALA . 19.1 m -120.55 -178.01 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.163 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.779 ' HB2' HD11 ' A' ' 66' ' ' LEU . 24.4 tttm -162.87 139.46 7.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.61 ' HA ' HG12 ' A' ' 63' ' ' VAL . 23.3 mtpp -53.07 149.69 6.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.7 tp -135.23 91.6 2.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -113.68 110.38 20.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 m -103.36 -29.8 10.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 134.83 37.88 0.2 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.0 t -91.2 -24.56 19.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 111.111 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.62 -42.78 1.84 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.533 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -84.25 172.17 12.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.759 0.314 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -110.34 103.73 12.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.648 HD12 HG23 ' A' ' 23' ' ' ILE . 1.4 pt? -124.12 157.88 33.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.61 HG12 ' HA ' ' A' ' 53' ' ' LYS . 17.8 m -127.72 148.77 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.5 tp -116.24 144.82 43.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.547 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -76.16 141.74 41.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.779 HD11 ' HB2' ' A' ' 52' ' ' LYS . 32.6 mt -100.51 -46.34 5.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -117.64 149.31 40.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -71.63 129.39 38.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -155.02 146.34 22.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -134.32 148.08 50.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -52.19 137.59 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.4 tttm 56.25 48.14 17.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.2 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 -179.904 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 tpt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.69 42.49 11.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.744 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -91.61 160.5 36.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.71 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.4 Cg_endo -69.77 167.68 23.74 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 139.4 40.17 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.727 2.285 . . . . 0.0 112.367 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.441 HD23 ' HD2' ' A' ' 7' ' ' PRO . 0.9 OUTLIER -66.37 159.67 71.04 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.626 0.727 . . . . 0.0 110.916 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.441 ' HD2' HD23 ' A' ' 6' ' ' LEU . 53.3 Cg_endo -69.8 167.71 23.71 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.293 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -48.2 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -87.99 -170.0 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.955 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 t -145.72 151.95 38.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.58 -35.27 60.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.48 -67.53 0.44 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.14 171.45 2.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.503 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.01 149.38 11.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.74 0.305 . . . . 0.0 110.857 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -102.8 174.76 5.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.475 HG13 ' HA3' ' A' ' 44' ' ' GLY . 34.2 m -138.31 132.07 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.6 m -62.14 134.38 56.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.543 ' HE1' HG13 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -142.93 136.51 28.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.588 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -127.61 152.56 47.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.36 122.66 10.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.53 ' HA2' HD21 ' A' ' 64' ' ' LEU . . . 103.29 -5.4 49.01 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.537 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -87.41 143.21 27.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.783 0.325 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mt -100.83 109.95 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 18' ' ' MET . 4.8 mp -103.75 134.95 46.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.932 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.9 m -72.16 111.73 7.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.748 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -73.99 128.34 35.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.483 HD12 HE22 ' A' ' 43' ' ' GLN . 33.7 mt -119.64 -51.2 2.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.53 139.22 49.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 p -151.16 36.54 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.6 t -66.42 -24.84 66.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -93.27 168.6 10.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -114.13 25.54 11.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -142.57 -47.73 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -113.96 126.62 55.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.47 ' CE3' HD21 ' A' ' 26' ' ' LEU . 10.5 m0 -116.54 131.3 56.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -86.55 114.63 23.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.748 HG12 ' HA ' ' A' ' 26' ' ' LEU . 14.8 m -138.41 176.12 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -128.48 120.56 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 p -137.18 146.49 27.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.0 m120 51.83 48.51 22.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 53.58 28.22 7.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -131.49 135.82 47.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.483 HE22 HD12 ' A' ' 27' ' ' LEU . 58.6 tp60 -104.49 136.86 43.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.475 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . 178.91 179.45 48.65 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.535 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -101.75 157.26 16.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.905 0.383 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.3 m -150.4 156.16 36.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.651 0.738 . . . . 0.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 114.98 3.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.06 -19.48 53.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.46 -6.57 49.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.47 ' CB ' ' HE1' ' A' ' 18' ' ' MET . 3.9 m-85 -107.31 -24.34 11.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.597 HG12 ' HA ' ' A' ' 65' ' ' ALA . 32.8 m -114.86 179.4 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.681 ' HB2' HD11 ' A' ' 66' ' ' LEU . 18.8 ttpt -161.37 135.28 6.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.576 ' HA ' HG12 ' A' ' 63' ' ' VAL . 13.2 pttt -51.83 147.84 6.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 tp -132.3 113.5 13.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -142.86 131.8 22.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.0 t -117.92 -29.57 5.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.3 48.41 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.459 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 t -117.02 -29.61 5.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 111.153 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.48 -21.44 44.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 178.13 0.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -122.7 75.9 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.43 ' H ' HD23 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -114.48 144.3 43.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.713 HG11 HD23 ' A' ' 26' ' ' LEU . 12.6 m -126.04 144.27 36.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.53 HD21 ' HA2' ' A' ' 21' ' ' GLY . 2.4 tp -111.68 148.02 34.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.597 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -78.03 144.94 36.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.681 HD11 ' HB2' ' A' ' 52' ' ' LYS . 54.1 mt -103.66 -39.43 6.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.744 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 48.1 m-85 -116.17 -172.9 2.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -108.36 129.56 55.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -145.94 147.18 31.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -145.29 128.46 16.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -52.01 131.78 31.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -116.48 98.47 6.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.1 p . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.91 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.796 0.331 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.7 37.99 6.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.662 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -86.71 160.41 50.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.708 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.0 Cg_endo -69.77 167.77 23.49 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.62 48.4 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.316 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.415 HD23 ' HD2' ' A' ' 7' ' ' PRO . 1.4 mt -69.41 159.51 83.17 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.415 ' HD2' HD23 ' A' ' 6' ' ' LEU . 53.9 Cg_endo -69.8 167.79 23.47 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.27 . . . . 0.0 112.365 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -48.01 0.81 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.362 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -87.52 -170.19 2.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -149.94 146.63 27.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.815 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.521 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . . . -51.81 -58.15 7.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.53 71.41 0.81 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.448 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.75 -149.05 11.96 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.495 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -103.9 151.84 22.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -118.13 -170.14 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.2 m -137.0 132.99 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 m -58.54 118.11 5.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.4 ptm -120.18 142.75 48.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.591 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 54.4 mttt -130.57 144.48 51.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.81 128.29 23.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.86 -3.75 67.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.49 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -86.31 145.13 27.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 60.9 mt -101.33 112.48 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.423 HD23 ' HB ' ' A' ' 39' ' ' VAL . 2.6 mp -104.31 133.69 48.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -70.61 108.68 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.775 HD22 HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -69.86 127.27 32.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.557 HD12 ' NE2' ' A' ' 43' ' ' GLN . 30.4 mt -119.44 -54.92 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.454 ' ND2' HG22 ' A' ' 30' ' ' THR . 1.1 t30 -121.7 130.96 53.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.437 ' HB3' HD11 ' A' ' 26' ' ' LEU . 10.5 p -139.96 33.69 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.454 HG22 ' ND2' ' A' ' 28' ' ' ASN . 15.1 t -69.76 -30.71 68.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.129 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.82 -179.99 6.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -123.67 -3.84 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -118.21 -45.67 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -113.87 122.88 48.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.602 ' CE3' HD21 ' A' ' 26' ' ' LEU . 7.3 m0 -116.97 144.87 44.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -98.02 118.79 35.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.775 HG12 HD22 ' A' ' 26' ' ' LEU . 13.4 m -139.91 175.3 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -126.5 111.96 15.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.423 ' HB ' HD23 ' A' ' 24' ' ' LEU . 14.1 p -128.85 146.74 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.6 m120 52.02 48.55 22.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 53.39 27.97 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -131.44 134.15 45.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.557 ' NE2' HD12 ' A' ' 27' ' ' LEU . 7.6 tp-100 -104.37 134.28 47.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.98 -174.8 44.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.521 ' CE2' ' HB3' ' A' ' 11' ' ' ALA . 36.7 p90 -103.58 155.86 18.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -154.36 156.84 32.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.711 . . . . 0.0 111.133 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 116.51 4.59 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.369 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.53 -23.61 67.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.01 -10.88 60.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.063 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -100.13 -18.37 16.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.588 HG12 ' HA ' ' A' ' 65' ' ' ALA . 19.0 m -122.09 -175.85 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.711 ' HB2' HD11 ' A' ' 66' ' ' LEU . 25.0 ttmt -157.98 133.08 8.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.599 ' HA ' HG12 ' A' ' 63' ' ' VAL . 19.4 ttpp -66.01 146.85 54.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.513 HD22 ' N ' ' A' ' 64' ' ' LEU . 2.0 pt? -153.13 176.12 12.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -160.16 158.26 29.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -110.03 -31.84 7.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 150.54 -24.2 1.07 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.427 HG23 ' H ' ' A' ' 60' ' ' LYS . 2.3 t -56.81 -26.14 57.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.826 0.346 . . . . 0.0 111.152 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.62 -19.97 52.53 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.477 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.427 ' H ' HG23 ' A' ' 58' ' ' THR . 1.9 mmmp? -54.08 172.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.734 0.302 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -109.64 98.96 8.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.423 ' O ' HD23 ' A' ' 54' ' ' LEU . 0.8 OUTLIER -127.26 152.0 47.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.657 HG11 HD23 ' A' ' 26' ' ' LEU . 16.4 m -132.97 143.54 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.513 ' N ' HD22 ' A' ' 54' ' ' LEU . 4.4 tp -108.58 150.92 26.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 19' ' ' LYS . . . -84.34 142.46 30.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.066 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.711 HD11 ' HB2' ' A' ' 52' ' ' LYS . 44.2 mt -105.36 -45.45 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.662 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 34.3 m-85 -115.46 160.56 19.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -85.72 128.74 34.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -140.11 145.99 38.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -105.58 160.56 15.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -87.73 133.95 33.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -164.16 125.05 2.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 54.4 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.866 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.034 0 CA-C-O 120.844 0.354 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.04 47.71 17.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.659 ' HB2' ' CG ' ' A' ' 67' ' ' TYR . . . -93.67 160.49 32.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 111.086 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 53.8 Cg_endo -69.8 167.78 23.51 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.627 2.218 . . . . 0.0 112.36 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.37 56.91 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.407 HD23 ' HD2' ' A' ' 7' ' ' PRO . 1.8 mt -64.48 159.31 60.9 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.642 0.734 . . . . 0.0 110.94 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.407 ' HD2' HD23 ' A' ' 6' ' ' LEU . 53.5 Cg_endo -69.73 167.73 23.55 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.32 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 -46.46 1.22 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -86.94 -170.19 2.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.2 t -151.98 132.77 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.859 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.74 131.84 30.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.14 -65.94 2.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.22 169.87 1.84 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.463 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -68.44 158.76 33.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -97.46 -179.01 4.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.502 HG13 ' HA3' ' A' ' 44' ' ' GLY . 16.3 m -144.43 134.28 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.499 HG23 ' HA ' ' A' ' 70' ' ' GLN . 7.3 m -58.03 137.78 56.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.6 ptm -132.93 137.8 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.461 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 9.3 ttpp -115.56 137.29 52.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -53.14 114.16 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.473 ' O ' HD11 ' A' ' 64' ' ' LEU . . . 103.25 6.88 44.37 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -95.1 133.38 38.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.781 0.324 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 72.0 mt -88.01 103.2 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.782 HD22 ' HB ' ' A' ' 39' ' ' VAL . 4.7 mt -92.55 139.79 30.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.947 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.9 m -73.7 107.92 6.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.793 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -64.66 124.89 23.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.51 ' N ' HD13 ' A' ' 26' ' ' LEU . 24.2 mt -111.39 -47.73 3.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -145.94 134.54 22.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.522 ' OG ' HD11 ' A' ' 26' ' ' LEU . 23.5 m -131.17 26.5 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 t -51.44 -30.38 19.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -96.62 177.64 5.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -117.12 -14.64 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -109.39 -37.01 5.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -114.03 118.29 33.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -117.12 132.03 56.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HE3' HD13 ' A' ' 27' ' ' LEU . 2.9 tmmm? -90.78 115.67 28.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.793 HG12 ' HA ' ' A' ' 26' ' ' LEU . 27.3 m -135.76 177.21 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.64 122.43 39.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.782 ' HB ' HD22 ' A' ' 24' ' ' LEU . 12.7 p -140.73 144.92 26.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 54.86 37.81 29.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.62 27.09 14.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.1 tpt85 -132.42 135.66 46.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -104.42 126.01 51.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.502 ' HA3' HG13 ' A' ' 16' ' ' VAL . . . -166.54 -172.22 33.58 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -104.36 156.33 18.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 m -154.18 156.57 31.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.623 0.725 . . . . 0.0 111.12 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 108.65 2.12 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.731 2.287 . . . . 0.0 112.342 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.492 ' HA ' HG22 ' A' ' 51' ' ' VAL . . . -55.14 -26.53 39.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.04 -19.28 65.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.091 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -92.23 -24.46 19.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.492 HG22 ' HA ' ' A' ' 48' ' ' ALA . 20.3 m -113.05 -174.53 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.628 ' HB2' HD11 ' A' ' 66' ' ' LEU . 9.5 tppt? -163.11 124.56 2.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.52 ' HA ' HG12 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -51.88 144.33 11.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.85 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 54' ' ' LEU . 6.7 tt -127.82 131.8 49.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -148.16 108.71 4.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 t -98.4 -31.11 12.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.833 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 140.5 52.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 t -113.12 -25.03 9.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 111.104 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.32 -34.69 5.57 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -70.14 -175.82 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.75 0.31 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -125.89 92.64 3.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.447 ' H ' HD23 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -118.47 149.41 41.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.767 HG11 HD23 ' A' ' 26' ' ' LEU . 16.9 m -126.2 145.36 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.174 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.473 HD11 ' O ' ' A' ' 21' ' ' GLY . 6.1 tp -114.78 137.07 52.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.965 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 19' ' ' LYS . . . -73.43 151.27 41.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.628 HD11 ' HB2' ' A' ' 52' ' ' LYS . 55.7 mt -108.81 -43.39 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.659 ' CG ' ' HB2' ' A' ' 3' ' ' ALA . 44.6 m-85 -112.85 177.33 4.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -103.32 127.53 50.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -144.77 145.43 31.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.499 ' HA ' HG23 ' A' ' 17' ' ' THR . 1.3 pm0 -136.4 119.63 16.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -58.69 140.03 55.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.33 43.07 17.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.863 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ttt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.31 47.12 8.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.684 ' HB2' ' CD2' ' A' ' 67' ' ' TYR . . . -90.73 160.43 38.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.601 0.715 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 54.4 Cg_endo -69.72 167.7 23.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.635 2.224 . . . . 0.0 112.384 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.92 43.86 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.656 2.238 . . . . 0.0 112.351 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.557 HD23 ' HD2' ' A' ' 7' ' ' PRO . 0.4 OUTLIER -64.5 160.58 50.61 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 110.905 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.557 ' HD2' HD23 ' A' ' 6' ' ' LEU . 54.2 Cg_endo -69.73 167.66 23.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.244 . . . . 0.0 112.342 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.28 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.34 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -87.64 -170.09 2.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.0 t -145.49 157.63 43.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.33 179.66 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.05 65.42 0.29 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.53 -171.89 36.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.8 mtm-85 -77.44 139.88 39.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.789 0.328 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -88.18 -173.81 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 42' ' ' ARG . 13.0 m -139.19 135.64 41.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m -59.62 137.66 57.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.9 ptm -139.86 125.51 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -107.54 146.38 31.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.02 110.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.99 16.41 33.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -91.43 152.03 20.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.753 0.311 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.551 HG23 HD12 ' A' ' 62' ' ' LEU . 51.0 mt -99.25 121.26 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.487 HD22 HG21 ' A' ' 37' ' ' VAL . 5.0 mp -121.61 136.19 54.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.6 m -80.45 114.13 19.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.79 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -67.11 131.14 45.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.575 ' N ' HD13 ' A' ' 26' ' ' LEU . 77.5 mt -120.64 -48.41 2.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -143.45 138.55 29.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 m -131.65 35.62 3.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.0 p -60.08 -31.86 70.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -117.03 109.1 16.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 4.4 ptpp? -51.45 -28.24 12.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -74.91 -50.64 16.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -114.26 118.33 33.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.2 m0 -108.3 128.06 54.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -85.45 112.29 20.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.79 HG12 ' HA ' ' A' ' 26' ' ' LEU . 32.9 m -132.63 176.52 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.113 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -124.92 121.14 33.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.8 p -144.55 146.63 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 54.77 44.13 28.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 56.65 24.86 9.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.429 ' O ' HG11 ' A' ' 16' ' ' VAL . 9.5 tpt180 -136.01 130.75 34.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -104.44 138.69 40.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -174.69 -174.63 41.56 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -103.01 142.48 34.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.91 0.386 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 m -140.02 156.43 70.39 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.649 0.738 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 111.12 2.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.231 . . . . 0.0 112.305 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 32' ' ' LYS . . . -56.99 -23.85 49.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.82 -12.59 61.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -99.64 -22.55 15.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' A' ' 65' ' ' ALA . 17.2 m -119.26 -173.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.721 ' HD3' HD21 ' A' ' 66' ' ' LEU . 16.8 pttm -156.82 135.73 11.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.6 ' HG3' HG12 ' A' ' 63' ' ' VAL . 3.0 ttpm? -71.62 151.41 43.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.6 tp -119.41 133.04 55.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.477 ' O ' HG22 ' A' ' 58' ' ' THR . 37.7 m-20 -51.7 164.1 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.4 -25.21 19.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -52.77 -26.58 25.78 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 55' ' ' ASP . 4.4 t -73.57 -32.5 64.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 0.0 111.127 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.96 -79.05 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -126.3 -173.13 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.726 0.298 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.56 94.0 5.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.551 HD12 HG23 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -140.07 175.83 9.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.788 HG11 HD23 ' A' ' 26' ' ' LEU . 10.4 m -129.78 138.79 53.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.1 tp -106.28 138.32 42.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.487 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -77.26 154.25 33.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.084 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.721 HD21 ' HD3' ' A' ' 52' ' ' LYS . 60.6 mt -115.18 -42.62 3.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.684 ' CD2' ' HB2' ' A' ' 3' ' ' ALA . 42.3 m-85 -111.34 170.78 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -95.68 125.4 40.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -152.73 148.47 27.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.93 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -126.97 160.28 31.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -69.46 144.47 53.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp 52.71 53.96 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.4 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.869 . . . . . . . . 0 0 . 1 stop_ save_