data_2crj_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 2crj _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 ' 8' ' ' PRO . . . . . 0.545 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.842 0.268 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.3 ttmm -73.59 99.09 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.558 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -45.11 116.03 2.75 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.566 0.698 . . . . 0.0 111.148 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.418 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 53.7 Cg_endo -69.76 152.02 69.2 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.232 . . . . 0.0 112.385 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.415 HG23 ' ND2' ' A' ' 20' ' ' ASN . 27.2 m -68.9 135.03 29.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.065 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.7 p -58.98 175.88 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.01 -32.53 82.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -71.0 -38.26 72.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.9 0.381 . . . . 0.0 110.962 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.4 t -80.89 -36.45 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.9 ttm-85 -43.93 -49.61 8.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.531 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 0.6 OUTLIER -67.31 -34.13 76.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.0 mt -70.5 -29.6 66.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.415 ' ND2' HG23 ' A' ' 12' ' ' VAL . 22.3 m-20 -60.58 -60.23 4.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -60.86 -50.49 73.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.531 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 12.5 mmp_? -54.04 -44.84 71.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.425 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 5.1 tmm_? -38.62 -41.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -66.12 -51.12 60.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -42.92 -47.95 5.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.928 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 29' ' ' ARG . 37.4 mm -64.77 -58.89 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 26' ' ' ILE . 19.7 mmt180 -35.84 -43.53 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.8 m -61.85 -43.2 99.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 26' ' ' ILE . 44.5 mtt180 -77.29 -56.46 4.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -108.12 77.05 0.65 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.583 0.706 . . . . 0.0 110.823 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -1.59 8.79 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.628 2.219 . . . . 0.0 112.407 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -101.5 -27.9 12.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.7 mt -63.48 125.34 87.13 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.592 0.71 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.473 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.7 Cg_endo -69.82 -163.35 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.722 2.282 . . . . 0.0 112.368 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.56 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.24 -58.82 2.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 110.829 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.9 Cg_endo -69.74 19.47 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.311 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.515 ' H ' ' C ' ' A' ' 35' ' ' PHE . 5.7 mm-40 -125.91 -25.42 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.465 HG22 ' CG2' ' A' ' 26' ' ' ILE . 70.5 mt -88.81 -44.71 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.0 m -62.53 -39.27 93.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -58.26 -27.94 64.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.1 mtm -79.86 -48.35 13.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' GLY . 74.2 mt -57.18 -49.08 77.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -35.83 -53.65 1.14 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.47 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.88 -41.97 46.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.707 0.289 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 42' ' ' LEU . 11.6 mm-40 -59.44 -49.48 77.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.563 ' CH2' ' HG2' ' A' ' 54' ' ' LYS . 61.9 t-105 -45.08 -36.8 3.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 t -78.27 -29.7 48.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.806 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 45' ' ' GLU . 50.3 mtmt -93.77 15.1 17.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.545 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.4 mt -72.72 169.13 17.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -88.8 159.28 46.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.548 0.689 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 0.34 5.79 Favored 'Trans proline' 0 C--N 1.34 0.113 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -109.53 -37.53 5.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -78.29 -53.13 7.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.563 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 16.2 tttt -53.47 -46.04 69.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -63.75 -45.37 90.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -59.83 -55.84 29.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -41.57 -48.92 4.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.56 -36.55 76.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.93 -41.66 64.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -56.32 -29.59 61.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.16 12.02 12.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.066 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -99.48 -60.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -50.4 69.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.935 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -57.85 -50.0 74.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' GLN . 23.9 ttpt -40.89 -57.81 1.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 65' ' ' LYS . 81.4 mt-30 -36.97 -51.63 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.434 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 10.5 tt0 -48.56 -50.79 30.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.558 ' CE2' ' HA ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -63.07 -46.55 86.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.801 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.3 mt -45.82 -58.35 3.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 67' ' ' GLN . 15.7 ptpt -57.82 -30.6 65.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.13 4.92 9.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.467 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 27.5 tp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.417 ' HG3' ' CA ' ' A' ' 72' ' ' LEU . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.15 0 CA-C-O 120.869 0.279 . . . . 0.0 112.347 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -83.68 111.27 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.567 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -58.83 128.6 84.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.589 0.709 . . . . 0.0 111.111 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 159.96 51.47 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.745 2.296 . . . . 0.0 112.324 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.4 m -76.89 142.77 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 14' ' ' GLY . 16.1 p -70.0 143.22 52.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -35.24 -36.79 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -61.24 -59.73 4.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.955 0.407 . . . . 0.0 110.936 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.4 t -62.04 -42.12 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.177 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.1 ttt-85 -45.82 -44.63 14.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.539 ' CE2' ' HG3' ' A' ' 22' ' ' ARG . 1.7 t80 -70.11 -42.63 72.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.2 mt -51.61 -51.99 51.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -66.56 -48.31 70.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -49.13 -46.21 44.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.539 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 10.1 mmm180 -82.23 -32.62 29.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -39.53 -43.77 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -66.05 -46.09 79.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -50.97 -39.75 56.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 29' ' ' ARG . 38.3 mm -69.77 -59.67 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 26' ' ' ILE . 13.5 mmm180 -36.4 -33.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 26' ' ' ILE . 86.0 m -68.3 -45.65 72.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 26' ' ' ILE . 32.6 mtt180 -80.43 -51.69 8.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -107.12 72.98 0.34 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.507 0.67 . . . . 0.0 110.785 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.421 ' CD ' ' O ' ' A' ' 29' ' ' ARG . 53.7 Cg_endo -69.86 -2.82 10.89 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.622 2.215 . . . . 0.0 112.359 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.28 -26.88 13.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.7 125.55 89.99 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.0 Cg_endo -69.79 -163.26 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.333 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.525 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -72.13 -58.93 2.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.622 0.725 . . . . 0.0 110.854 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.6 Cg_endo -69.69 19.5 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.73 2.286 . . . . 0.0 112.339 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.515 ' H ' ' C ' ' A' ' 35' ' ' PHE . 20.2 mm-40 -126.05 -26.45 3.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.462 HG23 ' CG2' ' A' ' 26' ' ' ILE . 71.5 mt -87.05 -42.55 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.5 m -60.88 -48.92 79.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 41' ' ' MET . 18.2 pttm -46.93 -34.87 5.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.438 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 56.1 mtm -73.02 -50.33 23.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.47 -50.37 73.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.32 -48.45 5.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.533 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.6 -34.8 73.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.741 0.305 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.22 -35.8 76.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.568 ' CH2' ' HG2' ' A' ' 54' ' ' LYS . 56.6 t-105 -56.15 -42.75 77.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 t -73.26 -23.1 60.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.794 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -96.84 9.27 42.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.538 HD12 ' CE3' ' A' ' 46' ' ' TRP . 11.7 mt -70.91 159.07 35.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -76.56 157.16 82.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.731 . . . . 0.0 110.86 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 2.76 3.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.55 -36.01 5.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.118 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -80.7 -53.13 6.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.568 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 18.8 tttt -52.9 -41.31 64.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -68.85 -31.23 70.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 -70.89 -39.83 72.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -58.8 -48.6 80.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 26.3 mt -52.02 -54.91 24.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -55.1 -52.23 63.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -39.73 -55.65 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.05 -39.18 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -62.24 -57.5 11.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -44.63 -33.33 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -70.76 -37.52 73.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.054 0.454 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 67' ' ' GLN . 9.1 ttmt -62.87 -53.27 56.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' LYS . 1.1 mp0 -34.26 -34.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' LYS . 4.1 tt0 -86.1 -43.94 12.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.567 ' CE2' ' HA ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -60.61 -15.47 28.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.2 mt -70.35 -60.38 2.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -26.88 14.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -80.79 11.37 3.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.417 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 30.7 tp . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.569 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.217 0 CA-C-O 120.777 0.24 . . . . 0.0 112.401 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -78.55 91.8 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.536 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . . . -42.13 120.61 2.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 111.064 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 166.88 26.22 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.632 2.221 . . . . 0.0 112.323 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 m -82.51 143.5 11.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 14' ' ' GLY . 60.5 p -71.54 141.39 50.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -34.2 -37.64 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.499 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -64.65 -49.01 72.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.956 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' THR . 95.5 t -70.14 -45.66 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.204 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -41.12 -61.35 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -52.37 -47.4 66.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.402 HD22 ' CB ' ' A' ' 42' ' ' LEU . 88.7 mt -53.67 -43.72 69.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -67.57 -56.25 10.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.798 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -46.92 -41.56 16.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -82.16 -34.47 29.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -39.81 -48.61 2.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -62.69 -40.1 96.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -57.33 -40.35 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 29' ' ' ARG . 41.2 mm -67.58 -61.3 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 26' ' ' ILE . 27.5 mmt180 -34.13 -47.03 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.0 m -56.51 -44.96 81.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.047 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 26' ' ' ILE . 2.9 mtt-85 -77.11 -55.02 5.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -109.26 75.16 0.69 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.563 0.697 . . . . 0.0 110.834 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 -1.9 9.33 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.703 2.269 . . . . 0.0 112.332 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.63 -27.8 13.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.402 ' CD1' ' HE3' ' A' ' 41' ' ' MET . 10.4 mt -63.21 126.24 88.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.473 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.2 Cg_endo -69.7 -163.21 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.565 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.38 -58.79 2.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.609 0.719 . . . . 0.0 110.851 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.3 Cg_endo -69.78 19.53 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.302 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.508 ' H ' ' C ' ' A' ' 35' ' ' PHE . 41.0 mm-40 -126.16 -25.17 3.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.462 HG23 ' CG2' ' A' ' 26' ' ' ILE . 74.5 mt -88.96 -43.25 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.9 m -64.6 -38.51 91.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -57.48 -35.8 70.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.402 ' HE3' ' CD1' ' A' ' 33' ' ' LEU . 47.2 mtm -73.25 -40.13 64.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.402 ' CB ' HD22 ' A' ' 19' ' ' LEU . 42.5 mt -66.18 -41.97 89.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.9 -48.97 36.75 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.16 -41.64 75.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.77 0.319 . . . . 0.0 111.081 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -60.63 -40.18 90.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.498 ' CE3' HD11 ' A' ' 49' ' ' LEU . 63.1 t-105 -56.94 -37.65 71.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.4 t -77.34 -26.16 51.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -94.9 6.83 47.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.498 HD11 ' CE3' ' A' ' 46' ' ' TRP . 12.4 mt -67.26 171.14 6.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -89.74 160.19 41.84 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.613 0.72 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 0.91 4.95 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.73 -35.81 5.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -80.0 -53.39 6.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.497 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 23.3 tttt -52.23 -42.96 64.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -68.43 -46.97 68.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -53.43 -35.48 60.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -64.54 -45.52 86.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 26.0 mt -56.32 -54.82 40.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -55.8 -58.03 9.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -42.71 -45.27 4.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.94 -45.43 74.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.032 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -46.82 -61.31 1.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -45.39 -53.67 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -48.02 -46.35 32.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -42.69 -57.0 2.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 67' ' ' GLN . 25.1 mt-30 -39.31 -62.6 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' GLN . 5.8 tt0 -37.54 -35.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.569 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -82.92 -44.19 15.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.2 mt -51.22 -56.62 11.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -49.77 -62.64 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.465 ' O ' ' C ' ' A' ' 72' ' ' LEU . 21.5 mm-40 -42.16 -57.46 2.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.485 ' N ' ' HG3' ' A' ' 8' ' ' PRO . 14.1 tp . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.549 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 55.0 Cg_endo . . . . . 0 C--O 1.232 0.188 0 CA-C-O 120.856 0.273 . . . . 0.0 112.401 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -83.15 100.31 10.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -41.09 105.43 0.38 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 111.092 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 130.91 20.14 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.398 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.4 m -48.93 138.45 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.1 t -83.39 163.09 20.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -40.76 -38.65 1.64 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.459 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.426 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 18.7 t80 -57.86 -64.81 0.78 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.946 0.403 . . . . 0.0 110.845 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 19' ' ' LEU . 49.2 t -61.66 -52.92 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.202 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' VAL . 17.2 ttt85 -38.04 -48.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -70.63 -38.06 73.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.426 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 6.8 mt -59.5 -41.96 91.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -66.33 -63.21 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -45.42 -44.89 12.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 25' ' ' GLN . 11.2 mmm180 -73.32 -41.54 63.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.416 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 5.4 tmm_? -37.59 -47.11 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.84 -39.61 89.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 22' ' ' ARG . 16.4 mm-40 -61.33 -31.59 71.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.4 HG22 ' CE ' ' A' ' 41' ' ' MET . 36.7 mm -78.98 -38.99 21.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.463 ' HD3' ' CD1' ' A' ' 38' ' ' ILE . 2.7 mmm180 -65.08 -35.85 82.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.4 m -65.59 -36.46 83.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.21 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -81.81 -46.05 14.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -123.56 79.73 54.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.594 0.712 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -1.39 8.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.35 -20.45 15.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.46 ' CD1' ' HE2' ' A' ' 41' ' ' MET . 8.5 mt -65.81 125.22 89.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.483 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.2 Cg_endo -69.79 -163.15 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.678 2.252 . . . . 0.0 112.323 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.553 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.53 -58.84 2.74 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.716 0.769 . . . . 0.0 110.899 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.2 Cg_endo -69.78 19.55 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.705 2.27 . . . . 0.0 112.379 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.507 ' H ' ' C ' ' A' ' 35' ' ' PHE . 5.1 mm-40 -125.98 -23.12 4.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.463 ' CD1' ' HD3' ' A' ' 27' ' ' ARG . 93.6 mt -92.14 -43.24 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.5 m -66.21 -39.63 89.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.212 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -56.64 -31.27 64.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.46 ' HE2' ' CD1' ' A' ' 33' ' ' LEU . 38.7 mtm -77.84 -42.89 32.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.791 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 45' ' ' GLU . 44.1 mt -67.02 -54.72 18.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -36.81 -38.67 0.32 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.15 -42.02 60.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' LEU . 31.6 mm-40 -55.87 -42.74 76.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.518 ' CH2' ' HG2' ' A' ' 54' ' ' LYS . 34.6 t-105 -58.81 -41.11 85.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -74.9 -19.1 60.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -97.38 -8.36 29.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.954 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.443 HD11 ' CE3' ' A' ' 46' ' ' TRP . 12.8 mt -51.87 168.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -82.27 158.35 66.78 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.516 0.674 . . . . 0.0 110.977 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 3.24 2.91 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.654 2.236 . . . . 0.0 112.348 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -115.03 -34.35 5.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -81.34 -51.59 8.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.518 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 17.3 tttt -52.66 -40.69 63.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.952 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -67.97 -48.14 66.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -52.17 -50.99 60.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -47.66 -43.6 26.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.6 mt -56.63 -56.2 24.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.936 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -55.69 -50.94 68.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -42.11 -53.65 3.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.19 -48.88 66.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.076 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -40.7 -53.02 2.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -38.75 -40.11 0.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -74.64 -56.73 4.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.017 0.437 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -40.92 -30.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -62.37 -68.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -57.11 -31.11 64.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.549 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.4 OUTLIER -63.44 -47.72 80.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.965 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.3 mt -43.28 -61.4 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -50.49 -47.41 57.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.434 ' CB ' ' HB3' ' A' ' 8' ' ' PRO . 23.0 mm-40 -53.04 -21.39 4.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.457 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 16.9 tp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.55 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.835 0.265 . . . . 0.0 112.375 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.405 ' C ' ' CE2' ' A' ' 68' ' ' TYR . 3.5 tppt? -97.24 111.47 23.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.13 115.75 14.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.629 0.728 . . . . 0.0 111.097 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -163.78 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 2.28 . . . . 0.0 112.399 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 m -119.81 145.63 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.986 0.422 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -63.97 165.16 9.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.486 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -54.74 -33.5 55.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.444 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -64.02 -61.9 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.972 0.415 . . . . 0.0 110.903 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.9 t -60.25 -41.09 85.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.7 ttt-85 -44.9 -43.17 8.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -71.11 -30.5 66.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.985 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.1 mt -77.52 -17.04 58.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -79.91 -53.81 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -61.25 -47.91 83.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.416 ' CG ' ' O ' ' A' ' 18' ' ' PHE . 2.7 mmp_? -62.07 -43.51 98.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.931 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' ARG . 1.2 tmt_? -37.32 -43.34 0.54 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -65.48 -48.22 73.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -52.78 -45.73 67.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 29' ' ' ARG . 42.8 mm -62.91 -61.23 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' ILE . 15.6 mmm180 -35.04 -48.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.8 m -55.37 -43.59 75.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 26' ' ' ILE . 30.8 mtt85 -77.85 -56.23 4.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -108.01 75.45 0.54 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.647 0.737 . . . . 0.0 110.83 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.68 -2.17 9.65 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.69 2.26 . . . . 0.0 112.329 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -100.87 -23.34 14.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 mt -68.55 125.25 91.54 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.535 0.683 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.479 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.2 Cg_endo -69.75 -163.19 0.1 Allowed 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.594 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.34 -58.88 2.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.691 0.757 . . . . 0.0 110.897 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.8 Cg_endo -69.75 19.44 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.387 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.516 ' H ' ' C ' ' A' ' 35' ' ' PHE . 9.1 mm-40 -126.05 -25.45 3.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.4 mt -87.51 -43.13 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.224 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.0 m -62.42 -41.77 98.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -57.5 -33.89 68.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 39.1 mtm -72.26 -49.64 33.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.88 -35.15 80.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.64 -42.9 45.65 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.53 -36.82 85.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.795 0.331 . . . . 0.0 111.162 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -62.2 -41.14 98.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.438 ' CE2' ' HE2' ' A' ' 54' ' ' LYS . 61.3 t-105 -49.83 -36.98 28.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -81.86 -23.71 36.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -95.19 9.77 38.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.409 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.6 mt -71.19 175.47 5.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -91.16 159.24 40.03 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.542 0.687 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 2.19 3.74 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.302 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.09 -35.42 5.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -81.12 -53.43 6.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.438 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 23.1 tttm -50.48 -43.8 55.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -65.31 -55.76 16.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -45.48 -45.92 13.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -52.97 -44.98 67.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.5 mt -56.51 -57.81 10.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 62' ' ' GLU . 38.6 t70 -57.8 -53.0 63.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.795 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -45.04 -39.73 5.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.486 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -74.64 -27.67 60.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 59' ' ' ASP . 80.4 mt-10 -72.78 -36.89 67.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -74.49 -34.51 63.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -76.15 -18.81 58.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.488 ' CG ' ' CD2' ' A' ' 69' ' ' LEU . 6.4 ttmt -75.88 -60.54 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.34 -31.12 8.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -65.35 -30.87 71.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.55 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -89.67 -33.97 16.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.83 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.488 ' CD2' ' CG ' ' A' ' 65' ' ' LYS . 1.4 mm? -49.25 -56.54 9.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -58.95 -31.4 68.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -67.98 -3.39 9.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.469 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 57.5 tp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.577 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.824 0.26 . . . . 0.0 112.368 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.66 114.32 15.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.08 110.55 2.76 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.625 0.726 . . . . 0.0 111.106 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 143.5 50.92 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.467 ' CG2' ' HG3' ' A' ' 17' ' ' ARG . 8.1 m -61.52 152.74 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 t -85.31 153.23 22.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.58 -19.22 0.76 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -78.42 -34.4 48.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 0.0 110.921 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 19' ' ' LEU . 18.7 t -77.02 -51.76 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.467 ' HG3' ' CG2' ' A' ' 12' ' ' VAL . 2.1 mtt-85 -38.03 -36.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.563 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 27.2 t80 -75.71 -39.71 56.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 16' ' ' VAL . 85.6 mt -61.32 -39.65 91.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -64.06 -74.74 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -41.03 -48.43 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 24.3 mmt180 -62.73 -52.14 64.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.42 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 2.6 tmm_? -36.43 -30.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 22' ' ' ARG . 11.6 tt0 -71.44 -47.72 54.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 22' ' ' ARG . 45.0 mm-40 -55.71 -40.45 72.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.461 ' CG2' HG21 ' A' ' 38' ' ' ILE . 36.7 mm -68.23 -58.8 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' ILE . 20.3 mmt180 -36.47 -42.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.83 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.3 m -59.69 -47.4 85.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' ILE . 21.5 mtt180 -75.73 -53.98 7.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -107.19 75.06 0.42 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.541 0.686 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -2.38 10.04 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.749 2.299 . . . . 0.0 112.305 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -102.02 -31.67 10.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 mt -59.68 125.33 79.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.471 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.2 Cg_endo -69.75 -163.16 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.514 ' C ' ' H ' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -72.29 -58.82 2.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.659 0.742 . . . . 0.0 110.87 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.4 Cg_endo -69.76 19.53 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.716 2.278 . . . . 0.0 112.343 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' A' ' 35' ' ' PHE . 20.3 mm-40 -126.09 -25.54 3.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.461 HG21 ' CG2' ' A' ' 26' ' ' ILE . 81.4 mt -87.87 -40.68 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.06 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.1 m -63.82 -45.3 90.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -51.24 -33.95 30.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 53.7 mtm -73.74 -47.54 38.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.2 mt -59.2 -41.43 88.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -44.41 -38.09 5.06 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.92 -37.05 85.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.722 0.296 . . . . 0.0 111.083 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -66.02 -38.44 88.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.523 ' CE3' HD12 ' A' ' 49' ' ' LEU . 69.5 t-105 -55.63 -33.13 63.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.8 t -81.1 -20.2 41.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -100.07 11.86 38.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.961 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.523 HD12 ' CE3' ' A' ' 46' ' ' TRP . 11.1 mt -72.92 156.2 39.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -75.16 159.6 82.15 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.561 0.696 . . . . 0.0 110.96 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 1.68 4.22 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.381 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.29 -39.54 4.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -75.04 -55.18 6.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.507 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 6.9 tttp -48.65 -41.8 32.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -70.31 -45.9 65.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -52.67 -42.53 64.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -59.09 -42.74 91.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 33.9 mt -59.53 -55.61 32.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -55.63 -48.36 75.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -45.46 -57.69 3.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.84 98.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 65' ' ' LYS . 35.6 mt-10 -53.64 -52.85 58.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -46.81 -32.16 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -84.44 -24.03 29.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.824 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' GLU . 68.4 tttt -64.97 -42.31 94.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -47.42 -53.26 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -52.58 -65.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.577 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -44.84 -50.53 10.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.401 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 12.3 mt -46.62 -62.51 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -48.53 -59.22 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.485 ' O ' ' C ' ' A' ' 72' ' ' LEU . 13.3 mt-10 -40.93 -59.77 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.487 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 16.0 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.458 ' HB3' ' CB ' ' A' ' 71' ' ' GLU . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.827 0.261 . . . . 0.0 112.329 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -76.83 95.56 4.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.496 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -47.54 105.93 0.54 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.596 0.712 . . . . 0.0 111.082 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 174.22 9.85 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.712 2.275 . . . . 0.0 112.322 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.8 m -105.72 159.55 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.174 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 14' ' ' GLY . 23.2 p -84.49 148.76 26.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.501 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -35.75 -40.9 0.36 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.442 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -60.95 -58.1 9.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.934 0.397 . . . . 0.0 110.932 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 17' ' ' ARG . 85.8 t -63.3 -52.55 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 16' ' ' VAL . 30.6 ttt85 -37.09 -59.37 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.55 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -57.32 -39.46 75.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.2 mt -62.47 -31.38 72.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -68.22 -60.39 2.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -51.87 -44.2 63.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.55 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 12.6 mmt180 -68.26 -45.89 71.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 2.0 tmm_? -37.51 -35.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -70.21 -48.48 56.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' ARG . 24.0 mm-40 -52.17 -41.28 62.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 29' ' ' ARG . 33.4 mm -67.63 -60.96 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' ILE . 16.8 mmt180 -35.74 -48.88 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.4 m -55.13 -43.83 74.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 26' ' ' ILE . 79.2 mtt180 -76.88 -57.42 3.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -107.53 76.94 0.55 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -2.32 9.93 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.745 2.296 . . . . 0.0 112.334 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -100.89 -21.01 15.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.8 mt -70.59 123.8 89.75 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.6 0.714 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.466 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.9 Cg_endo -69.74 -163.05 0.1 OUTLIER 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.58 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.61 -58.91 2.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 110.826 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.1 Cg_endo -69.76 19.37 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.687 2.258 . . . . 0.0 112.352 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' A' ' 35' ' ' PHE . 22.9 mm-40 -125.57 -25.48 3.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 87.1 mt -87.58 -43.77 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.6 m -61.64 -46.66 88.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 41' ' ' MET . 18.7 pttp -51.13 -35.4 35.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.434 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 45.0 mtm -71.9 -44.93 62.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 45' ' ' GLU . 86.5 mt -61.7 -50.03 74.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -35.55 -41.93 0.42 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.68 96.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.754 0.311 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' LEU . 16.4 mm-40 -61.75 -46.95 87.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.482 ' CE3' HD11 ' A' ' 49' ' ' LEU . 58.9 t-105 -51.05 -39.89 56.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.4 t -75.31 -25.06 57.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -95.99 6.91 47.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.482 HD11 ' CE3' ' A' ' 46' ' ' TRP . 12.6 mt -69.02 161.53 28.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -75.44 158.32 83.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.663 0.744 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 1.93 3.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.308 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.1 -39.45 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -76.01 -53.96 7.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.434 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 34.3 tttt -53.33 -47.73 69.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -62.23 -47.86 82.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -55.8 -45.41 78.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -52.2 -40.32 61.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.25 -45.15 94.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -69.88 -30.72 68.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -63.55 -31.53 72.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.501 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -88.2 -51.26 5.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.507 ' CG ' ' N ' ' A' ' 63' ' ' LYS . 7.7 pt-20 -46.52 -49.13 19.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.507 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 50.3 mtmt -58.24 -48.21 81.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -55.74 -47.04 77.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 67' ' ' GLN . 16.6 tttp -60.07 -51.3 70.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -38.47 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 65' ' ' LYS . 4.9 tt0 -88.55 -53.65 4.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.496 ' CE2' ' HA ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -43.67 -26.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.65 -54.01 23.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -66.47 -4.41 8.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.458 ' CB ' ' HB3' ' A' ' 8' ' ' PRO . 20.3 mt-10 -104.11 2.63 32.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.431 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 52.7 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.561 ' HG2' ' CE2' ' A' ' 68' ' ' TYR . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.891 0.288 . . . . 0.0 112.322 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.67 101.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.55 127.66 4.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.564 0.697 . . . . 0.0 111.15 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -176.03 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.312 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 17' ' ' ARG . 22.5 m -109.16 169.59 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 16' ' ' VAL . 75.3 p -105.87 145.93 30.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.13 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -36.48 -33.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 13' ' ' THR . 24.7 t80 -72.22 -42.65 65.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.349 . . . . 0.0 110.892 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 13' ' ' THR . 59.9 t -68.44 -68.73 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.454 ' HB3' ' CG2' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -41.38 -27.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.416 ' CE2' ' HG3' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -78.53 -38.4 40.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 16' ' ' VAL . 7.4 mt -54.39 -47.17 73.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -67.58 -59.38 3.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -39.48 -45.44 1.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.419 ' CB ' HD23 ' A' ' 42' ' ' LEU . 36.8 mmt180 -83.74 -33.06 25.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 5.2 tmm_? -41.54 -39.65 1.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -68.05 -42.05 81.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -55.71 -39.74 71.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 29' ' ' ARG . 32.7 mm -68.76 -58.73 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' ILE . 17.6 mmm180 -36.92 -46.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.3 m -57.12 -41.99 80.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' ILE . 12.0 mtt-85 -80.08 -57.9 3.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.802 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -107.18 74.99 0.42 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.582 0.706 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.85 -1.94 9.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.662 2.241 . . . . 0.0 112.396 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -101.71 -25.53 13.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.86 126.24 90.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.471 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.5 Cg_endo -69.8 -163.23 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.316 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.592 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.19 -58.89 2.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 110.818 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.9 Cg_endo -69.76 19.48 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' A' ' 35' ' ' PHE . 17.5 mm-40 -126.03 -24.72 3.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 87.2 mt -88.76 -40.92 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.3 m -66.1 -46.34 77.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 41' ' ' MET . 10.2 pttm -51.15 -27.98 9.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.846 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.405 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 38.9 mtm -78.64 -48.15 15.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 45' ' ' GLU . 73.6 mt -56.92 -45.36 82.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.08 -47.48 2.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.34 -33.16 75.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' LEU . 6.5 mm-40 -63.68 -51.08 66.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.564 ' CE3' HD11 ' A' ' 49' ' ' LEU . 61.1 t-105 -47.18 -35.67 7.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.3 t -78.57 -25.53 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.97 0.414 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -96.95 10.51 38.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.564 HD11 ' CE3' ' A' ' 46' ' ' TRP . 11.4 mt -68.29 161.62 26.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -82.14 160.52 62.7 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 0.0 110.976 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.84 3.18 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.52 -38.55 4.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -75.94 -52.5 10.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.547 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 22.3 tttt -51.83 -47.8 64.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -59.89 -41.07 90.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.4 ttt85 -61.29 -50.88 71.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -52.37 -39.21 60.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.2 mt -65.91 -64.58 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.977 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -56.19 -22.97 32.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -65.62 -42.04 91.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.454 ' CB ' ' HD2' ' A' ' 17' ' ' ARG . . . -76.89 -41.72 42.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 65' ' ' LYS . 64.9 mt-10 -43.4 -53.85 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -42.74 -45.4 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -68.23 -31.01 70.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' GLU . 17.5 tttp -59.47 -51.18 70.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -44.78 -36.3 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -69.34 -67.93 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.561 ' CE2' ' HG2' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -41.4 -44.46 2.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 mt -49.25 -58.19 5.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 71' ' ' GLU . 53.4 mttp -49.94 -68.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 72' ' ' LEU . 21.6 mm-40 -35.25 -59.14 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.487 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 29.2 tp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.554 ' HG2' ' CE2' ' A' ' 68' ' ' TYR . 53.2 Cg_endo . . . . . 0 N--CA 1.465 -0.166 0 CA-C-O 120.859 0.275 . . . . 0.0 112.371 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -60.53 98.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -37.99 134.24 0.86 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.558 0.694 . . . . 0.0 111.061 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.42 ' C ' HG11 ' A' ' 12' ' ' VAL . 54.2 Cg_endo -69.7 -169.32 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.42 HG11 ' C ' ' A' ' 11' ' ' PRO . 4.3 m -139.21 163.06 26.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.169 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 p -78.75 154.88 29.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.183 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.91 -14.67 5.69 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.509 ' CZ ' HD12 ' A' ' 19' ' ' LEU . 22.7 t80 -92.34 -20.02 21.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.938 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 19' ' ' LEU . 54.2 t -87.3 -58.79 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.08 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -40.4 -34.29 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.963 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.517 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -78.76 -37.2 41.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.812 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.509 HD12 ' CZ ' ' A' ' 15' ' ' TYR . 11.5 mt -58.95 -50.01 75.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -68.04 -56.46 8.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -47.99 -42.6 28.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.488 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 32.2 mmt180 -79.49 -31.46 42.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.422 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 3.3 tmm_? -53.65 -26.0 20.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -76.06 -46.05 31.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -54.28 -38.87 66.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' ARG . 21.7 mm -69.07 -59.54 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 26' ' ' ILE . 19.6 mmt180 -36.04 -45.7 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 60.9 m -58.35 -42.27 86.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 26' ' ' ILE . 65.0 mtt180 -80.02 -57.16 3.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -108.06 74.86 0.51 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -1.27 8.19 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.365 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.97 -34.64 10.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.823 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.486 ' CD1' ' HE3' ' A' ' 41' ' ' MET . 12.6 mt -55.68 120.97 36.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.558 0.694 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.493 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 54.1 Cg_endo -69.8 163.16 39.34 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.707 2.271 . . . . 0.0 112.372 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -41.78 -57.93 3.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.656 0.741 . . . . 0.0 110.921 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.4 Cg_endo -69.74 19.5 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.589 2.193 . . . . 0.0 112.424 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.516 ' H ' ' C ' ' A' ' 35' ' ' PHE . 3.2 mm-40 -130.78 -26.84 2.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.0 -36.31 11.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 m -68.46 -47.1 68.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -46.85 -27.91 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.486 ' HE3' ' CD1' ' A' ' 33' ' ' LEU . 27.8 mtm -81.15 -49.05 11.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.407 ' CD2' ' HB3' ' A' ' 22' ' ' ARG . 83.3 mt -55.43 -47.87 75.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -45.25 -49.08 10.54 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.546 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.32 -40.01 77.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 111.1 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -61.5 -42.13 98.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.551 ' CE3' HD13 ' A' ' 49' ' ' LEU . 66.8 t-105 -55.59 -36.4 66.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 t -76.87 -27.83 55.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -97.28 10.36 39.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.551 HD13 ' CE3' ' A' ' 46' ' ' TRP . 11.6 mt -66.62 169.12 8.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -85.36 159.55 55.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.546 0.688 . . . . 0.0 110.939 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -0.75 7.46 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.702 2.268 . . . . 0.0 112.32 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.53 -36.13 5.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -77.93 -52.55 8.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.488 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 20.5 tttt -52.35 -39.07 60.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -73.27 -44.77 58.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.403 ' NH2' ' CE1' ' A' ' 57' ' ' TYR . 35.7 ttp85 -54.59 -33.4 60.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.403 ' CE1' ' NH2' ' A' ' 56' ' ' ARG . 16.0 m-85 -67.49 -40.18 85.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 38.9 mt -61.06 -57.43 12.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -57.8 -55.01 40.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -43.08 -49.69 6.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.86 94.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -58.72 -54.08 51.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -43.39 66.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -57.63 -38.47 75.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -51.75 -50.19 61.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -45.34 -50.96 11.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -50.12 -62.91 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.554 ' CE2' ' HG2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -45.0 -55.37 5.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.518 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 14.4 mt -44.51 -57.3 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -48.4 -61.44 2.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.484 ' O ' ' C ' ' A' ' 72' ' ' LEU . 22.0 mm-40 -44.87 -57.48 3.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 71' ' ' GLU . 27.8 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.515 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.23 0.124 0 CA-C-O 120.927 0.303 . . . . 0.0 112.329 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -83.05 103.56 12.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.552 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -54.26 110.35 2.06 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.624 0.726 . . . . 0.0 111.108 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.516 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.77 161.02 47.56 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.3 m -64.82 157.7 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.071 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 14' ' ' GLY . 82.4 p -92.54 153.96 18.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -34.5 -40.65 0.19 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.443 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -63.11 -67.13 0.45 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.925 0.393 . . . . 0.0 110.89 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 17' ' ' ARG . 75.0 t -54.03 -49.18 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.097 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' VAL . 22.1 ttm-85 -34.86 -59.61 0.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -58.75 -43.07 90.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.4 mt -57.31 -41.31 79.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -68.24 -55.87 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -50.54 -46.64 57.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 25' ' ' GLN . 7.7 mmm180 -73.06 -42.02 63.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 22' ' ' ARG . 2.3 tmm_? -34.18 -54.31 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -51.9 -46.08 64.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' ARG . 14.5 mm-40 -53.05 -44.61 67.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 29' ' ' ARG . 34.4 mm -62.5 -61.86 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 26' ' ' ILE . 37.5 mmm-85 -34.39 -48.52 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.9 m -55.73 -44.43 77.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.2 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 26' ' ' ILE . 25.5 mtp180 -78.02 -57.68 3.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -107.23 74.68 0.41 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 121.663 0.744 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -1.76 9.06 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -100.19 -24.16 14.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.67 124.66 89.85 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.48 ' CG ' ' HG3' ' A' ' 37' ' ' GLU . 54.0 Cg_endo -69.71 -163.12 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.373 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.527 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.36 -58.71 2.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 0.0 110.865 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.2 Cg_endo -69.9 19.66 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.689 2.259 . . . . 0.0 112.313 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.509 ' H ' ' C ' ' A' ' 35' ' ' PHE . 8.2 mm-40 -126.49 -27.08 3.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.3 mt -84.61 -42.39 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.6 m -63.85 -45.61 88.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 41' ' ' MET . 10.8 ptmt -53.99 -30.69 48.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.415 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 31.1 mtm -74.87 -44.98 46.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.36 -45.62 90.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.37 -52.57 5.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.493 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.48 -39.43 48.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -66.95 -45.75 76.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.835 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 71.6 t-105 -54.97 -33.49 62.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 t -81.93 -24.71 35.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -99.79 18.64 17.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.1 mt -78.11 167.08 21.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -84.36 160.05 57.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.548 0.69 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 2.25 3.67 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.726 2.284 . . . . 0.0 112.352 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.53 -38.53 4.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -76.31 -54.64 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -50.98 -45.15 60.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -65.24 -43.87 89.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -54.73 -48.3 72.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -54.35 -44.27 72.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.007 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.5 mt -58.56 -52.59 65.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -58.21 -49.18 77.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -48.28 -50.14 31.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.73 -32.43 70.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -61.78 -56.0 24.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -53.81 -60.69 2.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 65' ' ' LYS . 74.9 mm-40 -48.54 -49.64 35.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' GLU . 26.4 tttp -33.78 -60.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 69' ' ' LEU . 10.1 mm100 -37.66 -56.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.508 ' C ' ' CD ' ' A' ' 67' ' ' GLN . 0.9 OUTLIER -39.5 -41.25 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.552 ' CE2' ' HA ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -79.41 -34.95 41.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 66' ' ' GLN . 4.7 mp -53.25 -51.47 62.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -55.5 -34.98 65.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -72.28 -2.83 20.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.467 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 46.4 tp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.567 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.745 0.227 . . . . 0.0 112.404 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -65.67 109.85 2.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.04 115.13 8.3 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.588 0.708 . . . . 0.0 111.08 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 142.25 47.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.645 2.23 . . . . 0.0 112.313 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.0 m -57.79 130.76 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.1 t -72.73 159.72 33.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -42.6 -37.14 2.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.465 ' CZ ' HD13 ' A' ' 19' ' ' LEU . 17.0 t80 -61.34 -63.0 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.939 0.399 . . . . 0.0 110.932 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 19' ' ' LEU . 72.9 t -60.97 -51.93 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.102 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' VAL . 18.7 ttt180 -38.02 -45.28 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.56 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -70.89 -36.09 72.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 16' ' ' VAL . 77.9 mt -69.35 -29.5 67.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.983 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -73.89 -39.73 63.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -72.39 -50.95 22.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 25.5 mmt-85 -62.0 -45.56 93.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.467 ' HD2' ' CG2' ' A' ' 38' ' ' ILE . 3.2 tpt180 -39.76 -30.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -76.78 -40.25 48.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 22' ' ' ARG . 6.1 mm100 -57.6 -37.75 73.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' ARG . 28.3 mm -70.05 -60.64 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' ILE . 12.2 mmt180 -34.39 -43.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.9 m -57.9 -48.63 79.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' ILE . 5.5 mtt-85 -76.35 -52.89 9.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.765 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -107.51 76.48 0.53 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -1.38 8.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -100.58 -22.6 14.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.433 ' CD1' ' HE2' ' A' ' 41' ' ' MET . 8.7 mt -69.36 124.97 91.6 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.673 0.749 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.488 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.0 Cg_endo -69.74 -163.08 0.1 OUTLIER 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.687 2.258 . . . . 0.0 112.387 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.622 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.75 -58.7 2.64 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.61 0.719 . . . . 0.0 110.869 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.4 Cg_endo -69.85 19.33 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' A' ' 35' ' ' PHE . 25.3 mm-40 -125.68 -23.66 3.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.467 ' CG2' ' HD2' ' A' ' 23' ' ' ARG . 90.6 mt -90.89 -45.99 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.201 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.3 m -62.69 -41.21 98.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.196 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 41' ' ' MET . 12.9 ptmm? -55.38 -41.57 72.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.433 ' HE2' ' CD1' ' A' ' 33' ' ' LEU . 29.8 mtm -65.92 -42.24 90.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 23' ' ' ARG . 30.5 mt -62.02 -38.68 89.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.34 -40.62 30.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.43 -31.52 72.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.298 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -70.75 -43.6 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.559 ' CE3' HD11 ' A' ' 49' ' ' LEU . 61.5 t-105 -46.84 -41.94 16.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.8 t -73.93 -24.34 59.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -89.15 -12.44 41.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.948 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.559 HD11 ' CE3' ' A' ' 46' ' ' TRP . 12.0 mt -49.32 162.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -79.3 159.32 72.84 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.593 0.711 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.04 3.88 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.361 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.82 -35.34 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -78.49 -50.46 11.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.489 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 23.6 tttt -54.35 -38.55 66.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -71.48 -47.85 52.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -53.62 -47.81 69.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -48.5 -42.29 32.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.6 mt -59.17 -58.5 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -53.23 -47.45 68.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -45.57 -50.5 13.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.53 -44.55 86.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -47.02 -58.66 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.412 ' NZ ' ' HA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -39.95 -55.24 2.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.59 -44.28 96.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -40.36 -43.23 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -50.96 -48.44 60.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -53.16 -38.3 62.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.567 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -73.53 -41.54 62.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.824 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.2 mt -54.15 -68.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 22.8 pttt -39.01 -54.17 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 72' ' ' LEU . 6.8 mm-40 -51.46 -54.05 30.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.475 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 4.9 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.447 ' HG3' ' CA ' ' A' ' 72' ' ' LEU . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.882 0.284 . . . . 0.0 112.358 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -81.85 113.09 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.491 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -53.36 120.73 22.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.537 0.684 . . . . 0.0 111.169 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -167.87 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.243 . . . . 0.0 112.38 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.3 m -113.5 155.78 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' GLY . 69.2 p -91.77 149.52 21.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -37.5 -37.36 0.33 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.433 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.513 ' CZ ' HD13 ' A' ' 19' ' ' LEU . 23.6 t80 -66.1 -50.66 63.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.935 0.398 . . . . 0.0 110.989 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' ARG . 16.4 t -69.85 -57.8 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.162 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' VAL . 30.6 ttt-85 -36.01 -48.36 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.805 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.53 -42.69 74.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.818 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.513 HD13 ' CZ ' ' A' ' 15' ' ' TYR . 19.3 mt -54.82 -42.95 72.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -64.11 -60.9 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -40.31 -50.71 2.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.457 ' HB3' ' CD2' ' A' ' 42' ' ' LEU . 18.7 mmm180 -71.01 -45.83 63.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 22' ' ' ARG . 2.7 tmm_? -37.03 -47.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -57.95 -48.97 78.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -51.95 -40.18 60.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.423 HG23 ' CE ' ' A' ' 41' ' ' MET . 40.7 mm -68.41 -54.8 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.216 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -42.78 -37.64 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.808 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.8 m -66.62 -45.29 79.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -71.79 -55.27 7.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -117.86 81.35 15.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.599 0.714 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 -1.08 7.87 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.743 2.295 . . . . 0.0 112.282 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -99.34 -31.31 11.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.43 ' CD1' ' HE2' ' A' ' 41' ' ' MET . 10.9 mt -53.15 118.48 14.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.661 0.743 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.499 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 53.7 Cg_endo -69.76 163.32 38.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.74 2.294 . . . . 0.0 112.306 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.517 ' N ' ' HD2' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -41.82 -58.03 3.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.636 0.731 . . . . 0.0 110.876 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.3 Cg_endo -69.73 19.48 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.382 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.504 ' H ' ' C ' ' A' ' 35' ' ' PHE . 11.0 mm-40 -130.8 -26.2 2.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.4 mt -84.87 -32.91 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.7 m -72.69 -45.58 58.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -49.9 -27.51 5.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.43 ' HE2' ' CD1' ' A' ' 33' ' ' LEU . 28.2 mtm -82.63 -43.95 16.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 22' ' ' ARG . 87.4 mt -63.39 -45.96 88.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.68 -50.05 7.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.505 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.89 -39.34 58.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 111.049 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.33 -44.0 96.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.539 ' CE3' HD13 ' A' ' 49' ' ' LEU . 70.7 t-105 -56.06 -35.32 66.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.3 t -77.74 -32.08 52.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.817 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -94.17 20.9 7.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.539 HD13 ' CE3' ' A' ' 46' ' ' TRP . 10.7 mt -80.12 152.97 29.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.938 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -68.41 154.8 93.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.621 0.724 . . . . 0.0 110.952 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 4.04 2.41 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.22 -33.8 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -81.14 -54.06 5.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.484 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 6.8 tttp -48.55 -29.03 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -84.85 -47.59 10.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 56' ' ' ARG . 0.9 OUTLIER -54.97 -32.04 61.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -65.96 -46.72 77.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.1 mt -54.81 -49.4 71.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 62' ' ' GLU . 40.3 t0 -59.17 -59.4 5.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 59' ' ' ASP . 6.1 mm-40 -35.9 -47.82 0.54 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.98 -44.0 90.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' ASP . 27.0 mt-10 -51.47 -57.17 9.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -39.26 -50.74 1.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.09 -47.49 85.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -43.38 -52.15 6.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -54.65 -32.67 59.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -75.89 -46.57 29.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.491 ' CE2' ' HA ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -66.67 -20.91 66.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.2 mt -71.3 -54.98 8.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -60.79 -23.55 65.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.407 ' CB ' ' HB3' ' A' ' 8' ' ' PRO . 22.4 mm-40 -82.39 0.85 40.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.447 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 20.6 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.501 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.843 0.268 . . . . 0.0 112.326 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.3 tptp -95.83 111.76 23.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.496 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -50.34 112.64 2.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.631 0.729 . . . . 0.0 111.056 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.475 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 54.0 Cg_endo -69.8 135.1 29.51 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.5 m -46.49 149.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 14' ' ' GLY . 58.6 p -88.76 146.92 24.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.077 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.449 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -35.4 -34.88 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 13' ' ' THR . 23.8 t80 -71.0 -48.28 54.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.982 0.42 . . . . 0.0 110.964 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.443 ' CG1' ' ND2' ' A' ' 20' ' ' ASN . 87.3 t -68.67 -51.63 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.149 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.9 ttt85 -40.3 -52.28 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CE2' ' HG3' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -61.39 -36.36 80.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.6 mt -67.1 -42.97 83.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.443 ' ND2' ' CG1' ' A' ' 16' ' ' VAL . 22.8 m-80 -64.47 -53.05 54.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -55.87 -51.04 68.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.42 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 4.5 mmp_? -64.28 -44.36 91.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' ARG . 5.9 tmm_? -35.78 -54.21 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -45.76 -54.13 8.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.413 ' HG3' ' NH2' ' A' ' 22' ' ' ARG . 29.1 mm100 -47.28 -42.26 20.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.468 ' CG2' HG22 ' A' ' 38' ' ' ILE . 38.1 mm -67.01 -54.75 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -42.33 -35.9 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.811 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 98.5 m -67.51 -36.99 82.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' ILE . 10.8 mtp85 -80.99 -55.53 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.852 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -120.48 80.5 30.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.512 0.672 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -0.58 7.13 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.262 . . . . 0.0 112.352 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -101.16 -15.94 17.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.67 119.04 68.5 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.584 0.707 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.506 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 53.6 Cg_endo -69.74 163.98 36.23 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.638 2.225 . . . . 0.0 112.376 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.612 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -42.19 -58.08 3.8 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.846 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.1 Cg_endo -69.68 19.28 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.502 ' H ' ' C ' ' A' ' 35' ' ' PHE . 3.5 mm-40 -130.71 -22.1 2.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.468 HG22 ' CG2' ' A' ' 26' ' ' ILE . 87.9 mt -92.27 -37.41 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.17 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 m -68.8 -43.72 75.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.2 pttp -53.07 -29.69 31.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 40.7 mtm -78.08 -45.92 22.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.84 -46.58 84.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.7 -48.07 6.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.513 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.46 -33.41 63.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.694 0.283 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -72.27 -40.36 67.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.562 ' CE3' HD13 ' A' ' 49' ' ' LEU . 57.9 t-105 -53.79 -37.61 63.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.9 t -75.23 -27.28 59.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -97.29 12.0 34.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.562 HD13 ' CE3' ' A' ' 46' ' ' TRP . 10.9 mt -70.86 153.79 42.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -67.95 154.67 93.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.658 0.742 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 3.31 2.81 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.699 2.266 . . . . 0.0 112.383 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.98 -33.72 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -80.11 -53.72 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.549 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 14.7 tttt -50.98 -40.76 58.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.444 ' NE2' HD13 ' A' ' 58' ' ' LEU . 41.9 tp60 -70.91 -42.24 70.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -60.96 -33.85 73.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -64.83 -44.12 90.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.444 HD13 ' NE2' ' A' ' 55' ' ' GLN . 38.9 mt -56.3 -50.9 70.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -60.66 -51.67 68.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -41.38 -46.18 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.449 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -75.69 -41.75 52.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -52.97 -55.26 24.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -40.46 -43.22 1.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -75.52 -41.11 56.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -48.57 -45.07 37.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -61.26 -36.26 79.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -72.27 -47.44 50.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.501 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -61.1 -40.94 95.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.1 mt -51.26 -60.02 3.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.966 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.3 pttt -56.13 -27.83 55.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -79.1 7.14 7.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.464 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 44.0 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.55 ' HB2' ' CD1' ' A' ' 68' ' ' TYR . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.82 0.258 . . . . 0.0 112.356 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -87.19 112.35 21.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.476 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . . . -47.4 110.79 1.42 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.622 0.725 . . . . 0.0 111.103 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.568 ' HD3' ' CD1' ' A' ' 68' ' ' TYR . 53.4 Cg_endo -69.81 169.03 19.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.735 2.29 . . . . 0.0 112.299 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.1 m -93.1 131.49 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.1 t -74.87 159.0 32.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -38.87 -36.04 0.43 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.54 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -63.7 -61.79 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.41 . . . . 0.0 110.897 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 19' ' ' LEU . 94.3 t -62.29 -54.43 34.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' VAL . 13.1 ttt-85 -34.96 -55.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.536 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -64.18 -37.46 87.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.809 -179.874 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' VAL . 10.2 mt -62.26 -37.4 85.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -67.51 -57.34 6.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -51.94 -51.09 59.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.536 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 20.2 mmt180 -64.57 -48.36 75.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -36.31 -57.68 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -49.15 -48.25 45.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -52.97 -36.38 60.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.46 ' CG2' HG23 ' A' ' 38' ' ' ILE . 44.2 mm -71.09 -53.7 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.2 mmm-85 -42.12 -39.73 2.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.7 m -63.52 -44.36 94.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.169 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -72.51 -54.51 9.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -120.71 81.47 33.19 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.644 0.735 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -0.63 7.26 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -100.05 -26.71 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 mt -58.5 118.42 28.01 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.577 0.703 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.492 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 53.3 Cg_endo -69.72 163.99 36.17 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -42.2 -58.1 3.78 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.683 0.754 . . . . 0.0 110.91 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.3 Cg_endo -69.74 19.48 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.703 2.269 . . . . 0.0 112.343 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.502 ' H ' ' C ' ' A' ' 35' ' ' PHE . 5.5 mm-40 -130.98 -23.74 2.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.46 HG23 ' CG2' ' A' ' 26' ' ' ILE . 94.7 mt -89.98 -34.15 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.0 m -72.7 -42.77 63.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -54.28 -28.61 43.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.873 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.2 mtm -79.19 -47.77 15.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.2 mt -59.88 -49.23 78.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.57 -59.32 1.97 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.527 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.91 -43.24 18.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.712 0.292 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -60.31 -40.46 90.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.515 ' CE2' ' HE2' ' A' ' 54' ' ' LYS . 52.8 t-105 -59.04 -45.7 90.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.3 m -70.81 -20.87 62.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -99.57 10.13 41.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.0 mt -68.26 168.58 12.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -87.06 159.86 50.41 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 2.6 3.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.769 2.312 . . . . 0.0 112.362 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.89 -38.02 4.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -76.26 -53.54 8.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.515 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 21.5 tttt -50.67 -42.15 56.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -67.86 -40.58 83.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 17.5 ttm-85 -59.21 -28.42 66.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -81.52 -42.4 20.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.2 mt -63.65 -30.4 71.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -88.28 -33.17 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 16.5 mm-40 -65.32 -19.72 66.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.96 -42.84 6.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -54.31 -28.79 44.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -75.22 -30.88 60.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -81.6 -25.56 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -71.35 -33.57 69.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -61.17 -39.88 91.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -74.5 -38.44 62.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.568 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 1.9 t80 -62.06 -41.46 98.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.5 mt -55.5 -55.59 30.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -53.39 -41.81 66.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.415 ' CB ' ' HB3' ' A' ' 8' ' ' PRO . 56.5 mm-40 -60.2 -13.32 11.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.441 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 21.5 tp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.479 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.2 Cg_endo . . . . . 0 C--O 1.23 0.113 0 CA-C-O 120.945 0.31 . . . . 0.0 112.252 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -89.58 109.88 20.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -45.7 113.36 1.97 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.589 0.709 . . . . 0.0 111.1 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.464 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 54.4 Cg_endo -69.78 163.07 39.65 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.723 2.282 . . . . 0.0 112.325 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.6 m -79.13 153.65 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.6 p -93.08 158.8 15.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.401 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -37.86 -40.14 0.73 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -66.59 -58.73 4.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 19' ' ' LEU . 84.0 t -59.24 -57.98 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' VAL . 18.0 ttt85 -36.02 -55.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.533 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -58.72 -38.81 79.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 16' ' ' VAL . 15.4 mt -66.51 -28.37 68.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -81.03 -40.62 23.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -69.06 -48.5 62.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.475 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 25.4 mmt180 -63.38 -46.54 86.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 26' ' ' ILE . 19.9 ttp85 -35.98 -57.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' ARG . 7.0 tt0 -36.42 -52.99 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -50.56 -41.53 54.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.464 ' CG2' HG23 ' A' ' 38' ' ' ILE . 40.8 mm -67.09 -60.51 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' ILE . 11.8 mmm180 -35.04 -42.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 m -61.16 -50.92 71.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -68.87 -52.87 25.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -119.08 79.7 18.33 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.655 0.741 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.88 -0.84 7.6 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.309 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -99.75 -32.87 10.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.472 ' CD1' ' HE1' ' A' ' 41' ' ' MET . 8.9 mt -53.43 119.08 16.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.586 0.708 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.509 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 53.4 Cg_endo -69.79 163.61 37.65 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -41.95 -58.03 3.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.639 0.733 . . . . 0.0 110.882 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.0 Cg_endo -69.73 19.34 0.18 Allowed 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.774 2.316 . . . . 0.0 112.33 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.509 ' H ' ' C ' ' A' ' 35' ' ' PHE . 2.9 mm-40 -130.94 -18.71 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.464 HG23 ' CG2' ' A' ' 26' ' ' ILE . 93.8 mt -95.91 -33.23 4.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.5 m -72.67 -40.62 66.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 41' ' ' MET . 0.0 OUTLIER -54.85 -31.19 59.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.472 ' HE1' ' CD1' ' A' ' 33' ' ' LEU . 40.6 mtm -78.73 -53.29 7.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 43' ' ' GLY . 66.4 mt -51.64 -47.17 63.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -35.66 -55.84 1.03 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.07 -44.03 15.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -59.62 -43.83 93.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.459 ' CE3' HD12 ' A' ' 49' ' ' LEU . 65.4 t-105 -55.25 -40.6 71.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.5 t -77.47 -26.18 51.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -94.38 11.16 31.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.459 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.7 mt -70.92 178.72 3.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -93.78 160.58 32.35 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 1.72 4.15 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.378 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.5 -39.57 3.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -73.34 -53.88 9.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.41 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 24.2 tttt -51.5 -42.21 61.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.413 ' NE2' HD12 ' A' ' 58' ' ' LEU . 50.4 tp60 -69.45 -51.32 37.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.3 ttm-85 -49.8 -47.04 51.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -50.65 -44.75 57.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.413 HD12 ' NE2' ' A' ' 55' ' ' GLN . 33.3 mt -56.44 -55.14 37.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -57.71 -51.57 69.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -47.07 -48.6 22.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.401 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -63.3 -54.54 35.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 63' ' ' LYS . 13.4 mm-40 -40.04 -52.26 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 62' ' ' GLU . 38.0 mtmt -36.24 -49.08 0.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -58.77 -49.72 76.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -42.84 -33.1 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -67.54 -66.43 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -53.9 -34.31 59.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.479 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.6 OUTLIER -71.98 -38.65 69.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.8 mt -53.78 -61.26 2.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 4.7 pttm -56.37 -32.73 65.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 30.8 mt-10 -67.01 -6.95 19.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.454 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 28.1 tp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.568 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 52.7 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.799 0.25 . . . . 0.0 112.309 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -61.99 102.79 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.23 110.37 1.64 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.563 0.697 . . . . 0.0 111.091 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 132.96 24.38 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.314 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.433 ' CG2' ' HG3' ' A' ' 17' ' ' ARG . 27.8 m -54.84 147.67 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.5 p -76.45 169.33 18.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.74 -36.29 85.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -62.24 -36.85 83.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.017 0.437 . . . . 0.0 110.952 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 19' ' ' LEU . 67.9 t -81.89 -48.72 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.166 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.433 ' HG3' ' CG2' ' A' ' 12' ' ' VAL . 44.0 mtt-85 -41.34 -31.66 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.6 OUTLIER -83.62 -36.21 24.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 16' ' ' VAL . 91.4 mt -69.95 -30.17 67.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -70.3 -60.63 2.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.9 -47.14 77.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.455 ' CB ' HD11 ' A' ' 42' ' ' LEU . 33.0 mmt180 -63.79 -47.74 79.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.922 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.467 ' CD ' HG22 ' A' ' 38' ' ' ILE . 1.5 tpt180 -45.04 -24.28 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -82.28 -51.26 8.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -47.42 -36.89 10.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 29' ' ' ARG . 14.0 mm -70.47 -57.86 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' ILE . 9.2 mmt85 -37.24 -39.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.5 m -65.0 -44.26 89.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' ILE . 50.4 mtt180 -77.81 -54.72 6.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -108.3 80.31 1.1 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.65 0.738 . . . . 0.0 110.834 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -1.79 9.04 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.91 -19.05 16.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.8 mt -73.21 120.58 81.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.638 0.732 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.483 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.1 Cg_endo -69.74 -162.86 0.1 OUTLIER 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.617 2.212 . . . . 0.0 112.334 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.629 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -73.68 -58.64 2.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.846 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.4 Cg_endo -69.75 19.6 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.319 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.517 ' H ' ' C ' ' A' ' 35' ' ' PHE . 19.9 mm-40 -124.64 -22.5 4.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.467 HG22 ' CD ' ' A' ' 23' ' ' ARG . 62.7 mt -93.02 -50.35 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.059 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 m -56.62 -28.2 59.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 41' ' ' MET . 0.0 OUTLIER -70.86 -36.77 72.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.46 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 33.7 mtm -70.03 -52.2 26.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.455 HD11 ' CB ' ' A' ' 22' ' ' ARG . 23.3 mt -53.48 -42.32 67.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.94 -56.17 3.22 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.456 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.69 -40.25 59.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.773 0.32 . . . . 0.0 111.092 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -61.96 -48.18 81.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.567 ' CE3' HD11 ' A' ' 49' ' ' LEU . 57.8 t-105 -48.42 -39.77 23.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.2 t -75.99 -21.73 56.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -94.66 -3.3 49.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.567 HD11 ' CE3' ' A' ' 46' ' ' TRP . 11.5 mt -57.78 158.51 6.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -74.8 157.29 85.92 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.572 0.701 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 1.29 4.52 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.7 2.266 . . . . 0.0 112.415 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.27 -31.99 6.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -84.19 -52.83 5.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.476 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 24.1 tttm -50.12 -41.27 48.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -67.21 -45.28 77.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.5 ttt-85 -52.43 -46.3 66.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -54.92 -33.8 62.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.1 mt -67.01 -56.03 11.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -59.53 -54.94 40.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -40.15 -52.82 2.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.28 -39.88 80.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.22 -58.79 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -41.48 -34.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -79.09 -45.29 20.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -46.55 -33.72 4.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -52.21 -47.98 65.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.406 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -58.75 -47.82 83.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.568 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -59.02 -42.45 90.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.854 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 70' ' ' LYS . 13.1 mt -53.37 -73.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 69' ' ' LEU . 6.2 ptpt -35.02 -55.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 72' ' ' LEU . 35.3 mm-40 -51.42 -53.45 36.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.48 ' N ' ' HG3' ' A' ' 8' ' ' PRO . 6.7 tp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.565 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.814 0.256 . . . . 0.0 112.353 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -85.77 111.97 20.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.21 114.58 5.07 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.574 0.702 . . . . 0.0 111.074 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 172.51 12.5 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.0 m -93.21 168.43 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 14' ' ' GLY . 78.9 p -95.38 146.48 24.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -35.57 -37.44 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.552 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -64.15 -54.54 32.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.0 t -66.94 -46.73 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -41.74 -52.47 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.481 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 1.5 t80 -60.09 -40.91 91.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.6 mt -61.56 -41.56 97.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -67.3 -32.38 73.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -70.2 -48.65 56.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 24' ' ' GLU . 3.0 mmp_? -70.79 -35.58 72.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -38.85 -25.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 22' ' ' ARG . 6.0 tp10 -80.91 -53.99 5.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.412 ' OE1' ' NH1' ' A' ' 22' ' ' ARG . 6.0 pt20 -54.08 -37.43 64.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.464 ' CG2' HG21 ' A' ' 38' ' ' ILE . 40.8 mm -69.72 -39.83 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.9 mmm-85 -58.29 -54.45 46.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.8 m -46.42 -45.59 18.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 -72.24 -60.85 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -110.89 79.24 1.81 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.588 0.708 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -1.53 8.58 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.762 2.308 . . . . 0.0 112.383 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -100.37 -19.2 16.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.85 116.64 40.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.615 0.721 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.499 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 54.2 Cg_endo -69.7 163.97 36.21 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.751 2.301 . . . . 0.0 112.329 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.596 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -42.34 -58.0 3.98 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.6 0.714 . . . . 0.0 110.86 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.5 Cg_endo -69.76 19.35 0.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.697 2.264 . . . . 0.0 112.383 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' A' ' 35' ' ' PHE . 13.0 mm-40 -130.81 -24.44 2.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.464 HG21 ' CG2' ' A' ' 26' ' ' ILE . 96.4 mt -88.64 -38.51 11.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 m -66.73 -45.02 80.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 41' ' ' MET . 12.7 ptmt -51.91 -32.19 31.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.423 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 40.9 mtm -75.7 -42.86 49.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.8 mt -66.25 -42.03 89.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -47.76 -23.06 2.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.541 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.4 -36.61 29.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.72 0.295 . . . . 0.0 111.064 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -63.85 -41.17 97.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.557 ' CE3' HD13 ' A' ' 49' ' ' LEU . 71.5 t-105 -52.59 -42.77 64.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.9 t -73.38 -26.18 60.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.892 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -100.11 13.08 35.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.557 HD13 ' CE3' ' A' ' 46' ' ' TRP . 12.0 mt -72.94 159.84 33.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -74.73 157.34 85.98 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 0.0 110.949 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 0.65 5.34 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.297 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.88 -33.89 6.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -80.36 -53.77 6.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.543 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 15.2 tttt -52.13 -41.92 62.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -68.99 -49.0 61.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.983 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -54.12 -38.79 65.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -59.53 -36.1 75.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.9 mt -65.77 -59.98 3.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.98 -51.03 71.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -46.2 -56.5 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.24 -51.84 65.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.061 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -43.22 -53.52 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.793 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.403 ' HA ' ' CE ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -42.49 -40.41 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -66.16 -42.64 88.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.824 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -51.47 -52.68 44.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.805 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -45.78 -43.94 13.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.71 -54.09 50.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.565 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -53.74 -42.23 67.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.894 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 mt -54.07 -57.25 11.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -48.86 -59.3 3.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 72' ' ' LEU . 6.6 mm-40 -43.7 -57.73 3.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.482 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 8.8 tp . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.566 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.194 0 CA-C-O 120.849 0.27 . . . . 0.0 112.356 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.405 ' C ' ' CE2' ' A' ' 68' ' ' TYR . 16.9 ttpp -92.62 109.53 20.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.522 ' N ' ' CE2' ' A' ' 68' ' ' TYR . . . -57.27 109.65 1.89 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.584 0.707 . . . . 0.0 111.085 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -170.94 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.394 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.5 m -99.62 137.48 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 t -87.58 168.69 12.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.413 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -44.89 -20.67 0.24 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -78.55 -69.83 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.917 0.389 . . . . 0.0 110.935 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.9 t -57.77 -37.82 61.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.063 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.4 ttt-85 -53.94 -40.11 66.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -82.34 -27.13 32.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.902 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 65.1 mt -65.45 -44.38 87.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -68.07 -48.52 65.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -51.93 -50.22 61.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HB3' ' CD2' ' A' ' 42' ' ' LEU . 15.4 mmm180 -73.56 -42.65 61.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.472 ' CD ' HG21 ' A' ' 38' ' ' ILE . 7.1 tpt85 -40.66 -25.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 22' ' ' ARG . 7.8 tt0 -81.18 -55.32 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -46.42 -35.89 5.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.8 mm -69.53 -54.17 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.072 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -42.11 -36.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.0 m -66.82 -44.05 82.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.171 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -76.22 -54.39 6.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -109.0 80.98 1.41 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.561 0.696 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.85 -1.17 8.1 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.738 2.292 . . . . 0.0 112.288 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -100.08 -23.67 14.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mt -69.07 119.52 70.52 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.605 0.717 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.476 ' CG ' ' HG3' ' A' ' 37' ' ' GLU . 52.9 Cg_endo -69.8 -163.17 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.576 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.74 -58.63 2.68 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.588 0.708 . . . . 0.0 110.917 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.1 Cg_endo -69.78 19.6 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.65 2.233 . . . . 0.0 112.352 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.517 ' H ' ' C ' ' A' ' 35' ' ' PHE . 6.6 mm-40 -124.79 -22.73 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.472 HG21 ' CD ' ' A' ' 23' ' ' ARG . 56.9 mt -92.9 -50.59 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 m -55.23 -26.68 41.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 41' ' ' MET . 8.7 ptmt -72.57 -34.62 67.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.438 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 44.1 mtm -71.49 -51.32 24.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 45' ' ' GLU . 72.3 mt -51.2 -48.49 61.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -38.31 -43.18 1.42 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.441 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.17 -35.99 80.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.738 0.304 . . . . 0.0 111.083 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 42' ' ' LEU . 16.8 mt-10 -65.18 -44.12 89.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.565 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.6 t-105 -48.64 -38.93 22.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.6 t -77.41 -32.46 54.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -89.74 14.93 10.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.565 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.4 mt -74.47 165.47 25.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -81.59 158.03 69.06 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.537 0.684 . . . . 0.0 110.978 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 2.17 3.77 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.704 2.269 . . . . 0.0 112.304 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.51 -37.13 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -77.67 -54.4 6.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.495 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 21.9 tttt -53.55 -46.89 70.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -63.71 -37.31 86.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -67.05 -39.34 86.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -60.54 -44.71 95.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.7 mt -57.04 -49.4 75.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -62.16 -53.05 60.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -48.99 -55.08 13.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.793 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.413 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -60.81 -45.48 94.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' LYS . 14.2 mt-10 -45.7 -54.95 7.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -42.26 -34.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -90.95 -24.54 20.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 62' ' ' GLU . 45.0 tttp -70.75 -42.15 70.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.443 ' HA ' ' CD1' ' A' ' 69' ' ' LEU . 2.2 pt20 -67.51 -43.33 81.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -54.44 -47.37 72.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.566 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -70.4 -38.24 74.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.821 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.443 ' CD1' ' HA ' ' A' ' 66' ' ' GLN . 9.2 mt -50.37 -61.94 1.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -53.38 -28.36 28.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -77.81 8.57 4.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.458 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 40.6 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.545 ' HG2' ' CE2' ' A' ' 68' ' ' TYR . 53.3 Cg_endo . . . . . 0 N--CA 1.465 -0.155 0 CA-C-O 120.846 0.269 . . . . 0.0 112.346 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -67.5 95.45 0.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . . . -50.62 122.28 15.88 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 0.0 111.118 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 161.35 46.25 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.737 2.291 . . . . 0.0 112.366 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.3 m -78.16 132.33 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 16' ' ' VAL . 38.4 p -57.95 138.39 55.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -36.53 -32.43 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.537 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.426 ' N ' ' O ' ' A' ' 13' ' ' THR . 6.6 t80 -69.49 -43.2 73.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' THR . 74.9 t -73.5 -50.53 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 -39.16 -46.59 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -64.32 -41.78 96.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 23' ' ' ARG . 65.7 mt -58.89 -49.93 75.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -60.23 -54.28 47.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -55.1 -45.46 75.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.441 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 31.0 mmt-85 -75.43 -26.02 57.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 19' ' ' LEU . 16.6 ttm-85 -48.94 -59.7 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -39.77 -58.43 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -48.56 -36.22 15.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.465 ' CG2' HG21 ' A' ' 38' ' ' ILE . 43.4 mm -76.16 -40.98 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -61.03 -41.87 97.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.0 m -59.26 -43.2 92.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.9 mtt85 -73.4 -52.61 13.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -119.71 81.48 25.36 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.545 0.688 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.79 -0.72 7.34 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.623 2.215 . . . . 0.0 112.274 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -100.45 -29.9 12.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.7 mt -53.67 117.07 11.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.629 0.728 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.501 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 54.5 Cg_endo -69.71 163.41 38.34 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.38 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.605 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -41.94 -57.97 3.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.622 0.725 . . . . 0.0 110.903 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.8 Cg_endo -69.72 19.27 0.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.739 2.293 . . . . 0.0 112.376 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.5 ' H ' ' C ' ' A' ' 35' ' ' PHE . 3.7 mm-40 -130.85 -20.34 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.465 HG21 ' CG2' ' A' ' 26' ' ' ILE . 96.9 mt -92.67 -32.37 4.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.6 m -73.46 -40.09 64.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -58.72 -28.1 65.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.8 mtm -80.02 -50.11 10.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.8 mt -65.39 -29.97 70.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.04 -50.96 61.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.32 -32.81 39.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.777 0.322 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -67.36 -43.94 80.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.529 ' CE3' HD13 ' A' ' 49' ' ' LEU . 71.7 t-105 -56.75 -40.72 76.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.5 t -72.48 -22.45 61.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.827 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -102.8 19.84 18.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.529 HD13 ' CE3' ' A' ' 46' ' ' TRP . 11.7 mt -79.11 160.43 27.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -78.76 159.39 74.06 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.568 0.699 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 2.03 3.94 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.313 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.29 -36.61 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -78.33 -54.37 6.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.509 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 6.9 tttp -48.74 -42.88 36.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.961 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -66.07 -46.34 78.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.7 ttm105 -53.23 -44.2 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -57.76 -45.8 85.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.9 mt -57.36 -41.13 79.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -68.66 -47.08 67.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -48.59 -48.3 39.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.35 -46.95 63.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.056 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -48.31 -56.63 7.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -43.32 -46.7 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -60.5 -42.36 96.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 66' ' ' GLN . 31.7 tptt -47.1 -53.42 12.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 65' ' ' LYS . 13.8 mm-40 -36.23 -51.95 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -55.84 -59.27 5.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.545 ' CE2' ' HG2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -50.41 -55.11 17.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.877 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.493 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 24.3 mt -45.64 -58.0 3.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -48.19 -60.97 2.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' A' ' 72' ' ' LEU . 13.0 mm-40 -45.91 -56.86 4.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.483 ' C ' ' O ' ' A' ' 71' ' ' GLU . 5.2 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.479 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.842 0.268 . . . . 0.0 112.388 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -93.67 109.75 21.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.39 110.51 1.03 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.537 0.684 . . . . 0.0 111.093 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.483 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.8 167.59 24.05 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.367 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.5 m -82.28 127.66 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 14' ' ' GLY . 6.5 t -82.14 162.47 22.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.467 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -34.84 -37.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.548 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -63.61 -60.98 2.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.371 . . . . 0.0 110.918 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.31 -52.18 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.1 ttt-85 -38.94 -44.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -73.74 -45.48 51.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 mt -52.01 -40.5 61.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -67.27 -64.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -41.67 -43.43 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.424 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 41.8 mmt-85 -78.62 -38.16 40.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -43.32 -39.51 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -63.77 -39.74 95.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -62.99 -35.79 81.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.4 mm -71.78 -37.54 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -68.51 -42.0 79.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 m -59.77 -37.05 77.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -82.2 -48.84 10.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -122.15 80.94 44.04 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.606 0.717 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -0.68 7.34 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -100.28 -26.21 13.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 mt -57.25 118.68 26.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.651 0.738 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.491 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 54.3 Cg_endo -69.72 163.62 37.54 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.72 2.28 . . . . 0.0 112.316 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.566 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -42.09 -57.95 3.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.607 0.718 . . . . 0.0 110.807 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.3 Cg_endo -69.87 19.34 0.19 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.508 ' H ' ' C ' ' A' ' 35' ' ' PHE . 11.1 mm-40 -130.57 -20.32 2.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 99.3 mt -93.14 -36.0 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.9 m -71.57 -37.98 71.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -32.95 70.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.8 mtm -77.42 -32.65 54.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 45' ' ' GLU . 72.6 mt -77.21 -61.08 2.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -38.91 -40.38 1.07 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.466 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.84 -38.75 92.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.672 0.272 . . . . 0.0 111.084 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' LEU . 31.0 mm-40 -63.84 -44.64 92.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.542 ' CE3' HD13 ' A' ' 49' ' ' LEU . 60.8 t-105 -44.96 -40.93 6.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.7 t -74.1 -28.89 61.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.823 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -89.25 16.47 7.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.542 HD13 ' CE3' ' A' ' 46' ' ' TRP . 12.0 mt -77.94 160.84 27.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.977 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -78.65 159.05 75.04 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.555 0.693 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 2.04 3.92 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.691 2.26 . . . . 0.0 112.308 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.65 -37.6 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -76.61 -55.15 5.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.479 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 6.0 tttp -48.6 -47.16 40.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -61.79 -49.47 76.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -50.51 -56.42 11.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -44.74 -57.37 3.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 28.5 mt -48.31 -39.65 22.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -78.64 -25.95 45.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -73.79 -19.98 60.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.467 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -102.07 -45.06 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -46.55 -31.87 3.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -69.76 -41.83 74.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -70.02 -30.95 68.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.441 ' HG2' ' CD2' ' A' ' 69' ' ' LEU . 5.0 ttpm? -55.86 -45.11 78.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -54.46 -35.81 63.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.8 -17.39 63.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.483 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 1.3 t80 -92.55 -31.54 15.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.441 ' CD2' ' HG2' ' A' ' 65' ' ' LYS . 3.4 mm? -59.7 -57.07 14.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -54.21 -42.06 69.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.91 -10.39 5.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.47 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 14.5 tp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 m -121.11 131.78 54.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.84 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 p -117.86 159.83 22.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.12 133.12 0.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -157.17 147.28 20.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.388 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t 39.06 50.19 1.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.01 -172.53 19.05 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.545 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 54.1 Cg_endo -69.66 143.1 50.23 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.65 2.234 . . . . 0.0 112.357 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.3 ttmm -73.59 99.09 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.558 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -45.11 116.03 2.75 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.566 0.698 . . . . 0.0 111.148 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.418 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 53.7 Cg_endo -69.76 152.02 69.2 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.232 . . . . 0.0 112.385 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.415 HG23 ' ND2' ' A' ' 20' ' ' ASN . 27.2 m -68.9 135.03 29.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.065 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.7 p -58.98 175.88 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.01 -32.53 82.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -71.0 -38.26 72.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.9 0.381 . . . . 0.0 110.962 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.4 t -80.89 -36.45 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.9 ttm-85 -43.93 -49.61 8.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.531 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 0.6 OUTLIER -67.31 -34.13 76.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.0 mt -70.5 -29.6 66.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.415 ' ND2' HG23 ' A' ' 12' ' ' VAL . 22.3 m-20 -60.58 -60.23 4.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -60.86 -50.49 73.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.531 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 12.5 mmp_? -54.04 -44.84 71.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.425 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 5.1 tmm_? -38.62 -41.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -66.12 -51.12 60.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -42.92 -47.95 5.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.928 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 29' ' ' ARG . 37.4 mm -64.77 -58.89 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 26' ' ' ILE . 19.7 mmt180 -35.84 -43.53 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.8 m -61.85 -43.2 99.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 26' ' ' ILE . 44.5 mtt180 -77.29 -56.46 4.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -108.12 77.05 0.65 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.583 0.706 . . . . 0.0 110.823 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -1.59 8.79 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.628 2.219 . . . . 0.0 112.407 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -101.5 -27.9 12.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.7 mt -63.48 125.34 87.13 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.592 0.71 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.473 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.7 Cg_endo -69.82 -163.35 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.722 2.282 . . . . 0.0 112.368 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.56 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.24 -58.82 2.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 110.829 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.9 Cg_endo -69.74 19.47 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.311 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.515 ' H ' ' C ' ' A' ' 35' ' ' PHE . 5.7 mm-40 -125.91 -25.42 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.465 HG22 ' CG2' ' A' ' 26' ' ' ILE . 70.5 mt -88.81 -44.71 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.0 m -62.53 -39.27 93.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -58.26 -27.94 64.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.1 mtm -79.86 -48.35 13.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' GLY . 74.2 mt -57.18 -49.08 77.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -35.83 -53.65 1.14 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.47 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.88 -41.97 46.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.707 0.289 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 42' ' ' LEU . 11.6 mm-40 -59.44 -49.48 77.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.563 ' CH2' ' HG2' ' A' ' 54' ' ' LYS . 61.9 t-105 -45.08 -36.8 3.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 t -78.27 -29.7 48.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.806 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 45' ' ' GLU . 50.3 mtmt -93.77 15.1 17.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.545 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.4 mt -72.72 169.13 17.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -88.8 159.28 46.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.548 0.689 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 0.34 5.79 Favored 'Trans proline' 0 C--N 1.34 0.113 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -109.53 -37.53 5.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -78.29 -53.13 7.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.563 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 16.2 tttt -53.47 -46.04 69.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -63.75 -45.37 90.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -59.83 -55.84 29.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -41.57 -48.92 4.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.56 -36.55 76.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.93 -41.66 64.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -56.32 -29.59 61.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.16 12.02 12.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.066 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -99.48 -60.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -50.4 69.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.935 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -57.85 -50.0 74.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' GLN . 23.9 ttpt -40.89 -57.81 1.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 65' ' ' LYS . 81.4 mt-30 -36.97 -51.63 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.434 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 10.5 tt0 -48.56 -50.79 30.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.558 ' CE2' ' HA ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -63.07 -46.55 86.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.801 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.529 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 26.3 mt -45.82 -58.35 3.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.467 ' HA ' ' NE1' ' A' ' 73' ' ' TRP . 15.7 ptpt -57.82 -30.6 65.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.13 4.92 9.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.467 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 27.5 tp -105.52 -46.36 4.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.529 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 5.1 p-90 -98.97 -54.19 3.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -44.12 -22.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.408 ' N ' ' C ' ' A' ' 73' ' ' TRP . 3.4 t80 -94.86 -52.54 4.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.004 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.423 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 33.1 mt-30 -49.21 -42.51 40.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.942 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.1 68.13 3.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -147.14 142.73 27.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -42.39 -48.53 5.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.71 -35.13 60.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.423 ' CD1' ' HA ' ' A' ' 76' ' ' GLN . 60.3 t80 -63.94 -46.13 86.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -74.48 -57.64 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.45 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 6.9 p -55.09 119.77 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.144 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -157.44 179.61 9.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.8 t -81.86 40.52 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -110.57 170.82 7.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 94.2 p -139.18 156.49 47.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.783 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 142.96 -91.17 0.17 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.545 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 108.91 2.2 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.72 2.28 . . . . 0.0 112.311 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 91' ' ' SER . 2.6 t -131.69 87.82 2.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 90' ' ' SER . 35.9 m 37.46 46.12 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m 48.06 44.24 18.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.85 0.357 . . . . 0.0 110.838 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 m -100.82 108.54 20.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.781 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.18 144.46 14.97 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.423 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 p -161.87 175.91 11.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.379 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.3 p -76.33 138.35 40.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.61 172.97 2.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.541 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.417 ' HG3' ' CA ' ' A' ' 72' ' ' LEU . 54.1 Cg_endo -69.72 145.66 58.07 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -83.68 111.27 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.567 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -58.83 128.6 84.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.589 0.709 . . . . 0.0 111.111 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 159.96 51.47 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.745 2.296 . . . . 0.0 112.324 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.4 m -76.89 142.77 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 14' ' ' GLY . 16.1 p -70.0 143.22 52.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -35.24 -36.79 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -61.24 -59.73 4.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.955 0.407 . . . . 0.0 110.936 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.4 t -62.04 -42.12 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.177 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.1 ttt-85 -45.82 -44.63 14.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.539 ' CE2' ' HG3' ' A' ' 22' ' ' ARG . 1.7 t80 -70.11 -42.63 72.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.2 mt -51.61 -51.99 51.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -66.56 -48.31 70.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -49.13 -46.21 44.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.539 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 10.1 mmm180 -82.23 -32.62 29.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -39.53 -43.77 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -66.05 -46.09 79.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -50.97 -39.75 56.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 29' ' ' ARG . 38.3 mm -69.77 -59.67 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 26' ' ' ILE . 13.5 mmm180 -36.4 -33.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 26' ' ' ILE . 86.0 m -68.3 -45.65 72.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 26' ' ' ILE . 32.6 mtt180 -80.43 -51.69 8.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -107.12 72.98 0.34 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.507 0.67 . . . . 0.0 110.785 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.421 ' CD ' ' O ' ' A' ' 29' ' ' ARG . 53.7 Cg_endo -69.86 -2.82 10.89 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.622 2.215 . . . . 0.0 112.359 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.28 -26.88 13.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.7 125.55 89.99 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.0 Cg_endo -69.79 -163.26 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.333 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.525 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -72.13 -58.93 2.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.622 0.725 . . . . 0.0 110.854 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.6 Cg_endo -69.69 19.5 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.73 2.286 . . . . 0.0 112.339 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.515 ' H ' ' C ' ' A' ' 35' ' ' PHE . 20.2 mm-40 -126.05 -26.45 3.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.462 HG23 ' CG2' ' A' ' 26' ' ' ILE . 71.5 mt -87.05 -42.55 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.5 m -60.88 -48.92 79.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 41' ' ' MET . 18.2 pttm -46.93 -34.87 5.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.438 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 56.1 mtm -73.02 -50.33 23.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.47 -50.37 73.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.32 -48.45 5.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.533 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.6 -34.8 73.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.741 0.305 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.22 -35.8 76.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.568 ' CH2' ' HG2' ' A' ' 54' ' ' LYS . 56.6 t-105 -56.15 -42.75 77.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 t -73.26 -23.1 60.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.794 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -96.84 9.27 42.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.538 HD12 ' CE3' ' A' ' 46' ' ' TRP . 11.7 mt -70.91 159.07 35.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -76.56 157.16 82.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.731 . . . . 0.0 110.86 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 2.76 3.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.55 -36.01 5.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.118 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -80.7 -53.13 6.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.568 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 18.8 tttt -52.9 -41.31 64.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -68.85 -31.23 70.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 -70.89 -39.83 72.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -58.8 -48.6 80.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 26.3 mt -52.02 -54.91 24.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -55.1 -52.23 63.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -39.73 -55.65 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.05 -39.18 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -62.24 -57.5 11.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -44.63 -33.33 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -70.76 -37.52 73.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.054 0.454 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 67' ' ' GLN . 9.1 ttmt -62.87 -53.27 56.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' LYS . 1.1 mp0 -34.26 -34.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' LYS . 4.1 tt0 -86.1 -43.94 12.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.567 ' CE2' ' HA ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -60.61 -15.47 28.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.49 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 15.2 mt -70.35 -60.38 2.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -52.52 -26.88 14.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.807 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -80.79 11.37 3.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.417 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 30.7 tp -117.87 -38.81 3.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.49 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 5.4 p-90 -107.51 -43.3 4.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -59.2 -15.76 16.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.05 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -103.52 -48.55 3.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.899 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -53.19 -25.27 13.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.36 23.88 6.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.8 m -104.11 156.05 18.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -57.71 -40.73 80.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.37 -18.95 12.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -80.04 -37.97 32.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -75.25 -49.94 17.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 84' ' ' CYS . 4.6 p -46.43 -38.42 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.418 ' N ' HG12 ' A' ' 83' ' ' VAL . 2.0 t -47.56 173.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.1 p -96.71 92.96 6.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -160.18 123.9 3.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.811 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.4 m -47.96 165.04 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.22 176.46 48.07 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 154.12 68.3 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.704 2.269 . . . . 0.0 112.394 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.4 t -117.57 86.25 2.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.826 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.1 m -42.6 -50.16 5.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.526 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.4 t -133.19 101.99 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.919 0.39 . . . . 0.0 110.782 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.7 p -88.21 -30.97 19.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.29 47.48 34.51 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.447 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -52.7 136.91 32.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.952 0.406 . . . . 0.0 110.799 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -78.92 91.43 4.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.92 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.79 -161.55 13.66 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.449 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.569 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 54.2 Cg_endo -69.72 140.84 43.83 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.67 2.246 . . . . 0.0 112.401 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -78.55 91.8 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.536 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . . . -42.13 120.61 2.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 111.064 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 166.88 26.22 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.632 2.221 . . . . 0.0 112.323 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 m -82.51 143.5 11.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 14' ' ' GLY . 60.5 p -71.54 141.39 50.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -34.2 -37.64 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.499 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -64.65 -49.01 72.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.956 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' THR . 95.5 t -70.14 -45.66 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.204 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -41.12 -61.35 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -52.37 -47.4 66.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.402 HD22 ' CB ' ' A' ' 42' ' ' LEU . 88.7 mt -53.67 -43.72 69.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -67.57 -56.25 10.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.798 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -46.92 -41.56 16.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -82.16 -34.47 29.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -39.81 -48.61 2.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -62.69 -40.1 96.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -57.33 -40.35 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 29' ' ' ARG . 41.2 mm -67.58 -61.3 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 26' ' ' ILE . 27.5 mmt180 -34.13 -47.03 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.0 m -56.51 -44.96 81.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.047 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 26' ' ' ILE . 2.9 mtt-85 -77.11 -55.02 5.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -109.26 75.16 0.69 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.563 0.697 . . . . 0.0 110.834 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 -1.9 9.33 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.703 2.269 . . . . 0.0 112.332 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.63 -27.8 13.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.402 ' CD1' ' HE3' ' A' ' 41' ' ' MET . 10.4 mt -63.21 126.24 88.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.473 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.2 Cg_endo -69.7 -163.21 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.565 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.38 -58.79 2.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.609 0.719 . . . . 0.0 110.851 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.3 Cg_endo -69.78 19.53 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.302 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.508 ' H ' ' C ' ' A' ' 35' ' ' PHE . 41.0 mm-40 -126.16 -25.17 3.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.462 HG23 ' CG2' ' A' ' 26' ' ' ILE . 74.5 mt -88.96 -43.25 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.9 m -64.6 -38.51 91.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -57.48 -35.8 70.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.402 ' HE3' ' CD1' ' A' ' 33' ' ' LEU . 47.2 mtm -73.25 -40.13 64.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.402 ' CB ' HD22 ' A' ' 19' ' ' LEU . 42.5 mt -66.18 -41.97 89.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.9 -48.97 36.75 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.16 -41.64 75.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.77 0.319 . . . . 0.0 111.081 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -60.63 -40.18 90.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.498 ' CE3' HD11 ' A' ' 49' ' ' LEU . 63.1 t-105 -56.94 -37.65 71.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.4 t -77.34 -26.16 51.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -94.9 6.83 47.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.498 HD11 ' CE3' ' A' ' 46' ' ' TRP . 12.4 mt -67.26 171.14 6.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -89.74 160.19 41.84 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.613 0.72 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 0.91 4.95 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.73 -35.81 5.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -80.0 -53.39 6.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.497 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 23.3 tttt -52.23 -42.96 64.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -68.43 -46.97 68.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -53.43 -35.48 60.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -64.54 -45.52 86.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 26.0 mt -56.32 -54.82 40.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -55.8 -58.03 9.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -42.71 -45.27 4.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.94 -45.43 74.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.032 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -46.82 -61.31 1.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -45.39 -53.67 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -48.02 -46.35 32.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -42.69 -57.0 2.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 67' ' ' GLN . 25.1 mt-30 -39.31 -62.6 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' GLN . 5.8 tt0 -37.54 -35.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.569 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -82.92 -44.19 15.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.59 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 11.2 mt -51.22 -56.62 11.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HA ' ' CE2' ' A' ' 73' ' ' TRP . 50.4 mttp -49.77 -62.64 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.465 ' O ' ' C ' ' A' ' 72' ' ' LEU . 21.5 mm-40 -42.16 -57.46 2.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.485 ' N ' ' HG3' ' A' ' 8' ' ' PRO . 14.1 tp -32.16 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.59 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 12.7 p-90 -73.13 -54.82 7.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -34.17 -33.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.49 ' N ' ' O ' ' A' ' 73' ' ' TRP . 1.5 t80 -85.73 -50.94 6.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -49.0 -25.92 2.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -76.79 -36.02 57.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -47.59 126.8 10.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 12.7 pt-20 -46.94 -50.27 19.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -40.89 -26.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.071 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' GLU . 78.2 t80 -71.08 -65.44 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.985 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.56 -47.3 39.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.2 p -63.54 -31.97 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.0 m -69.23 94.14 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.2 p -89.83 144.73 25.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -107.46 106.45 16.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.3 t -130.11 179.32 5.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -121.02 87.21 0.41 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 172.4 12.72 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.738 2.292 . . . . 0.0 112.273 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 69.0 m -105.02 -177.59 3.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.3 t -89.85 92.19 8.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.921 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -65.58 148.78 51.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 0.0 110.879 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -109.78 117.09 32.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.784 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.33 119.62 3.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 m -102.84 -45.21 5.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.942 0.401 . . . . 0.0 110.893 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -105.39 172.61 6.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.27 165.4 35.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.525 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.549 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 55.0 Cg_endo -69.68 144.22 53.78 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.694 2.263 . . . . 0.0 112.401 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -83.15 100.31 10.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -41.09 105.43 0.38 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 111.092 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 130.91 20.14 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.398 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.4 m -48.93 138.45 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.1 t -83.39 163.09 20.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -40.76 -38.65 1.64 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.459 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.426 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 18.7 t80 -57.86 -64.81 0.78 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.946 0.403 . . . . 0.0 110.845 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 19' ' ' LEU . 49.2 t -61.66 -52.92 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.202 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' VAL . 17.2 ttt85 -38.04 -48.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -70.63 -38.06 73.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.426 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 6.8 mt -59.5 -41.96 91.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -66.33 -63.21 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -45.42 -44.89 12.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 25' ' ' GLN . 11.2 mmm180 -73.32 -41.54 63.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.416 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 5.4 tmm_? -37.59 -47.11 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.84 -39.61 89.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 22' ' ' ARG . 16.4 mm-40 -61.33 -31.59 71.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.4 HG22 ' CE ' ' A' ' 41' ' ' MET . 36.7 mm -78.98 -38.99 21.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.463 ' HD3' ' CD1' ' A' ' 38' ' ' ILE . 2.7 mmm180 -65.08 -35.85 82.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.4 m -65.59 -36.46 83.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.21 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -81.81 -46.05 14.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -123.56 79.73 54.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.594 0.712 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -1.39 8.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.35 -20.45 15.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.46 ' CD1' ' HE2' ' A' ' 41' ' ' MET . 8.5 mt -65.81 125.22 89.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.483 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.2 Cg_endo -69.79 -163.15 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.678 2.252 . . . . 0.0 112.323 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.553 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.53 -58.84 2.74 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.716 0.769 . . . . 0.0 110.899 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.2 Cg_endo -69.78 19.55 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.705 2.27 . . . . 0.0 112.379 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.507 ' H ' ' C ' ' A' ' 35' ' ' PHE . 5.1 mm-40 -125.98 -23.12 4.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.463 ' CD1' ' HD3' ' A' ' 27' ' ' ARG . 93.6 mt -92.14 -43.24 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.5 m -66.21 -39.63 89.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.212 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -56.64 -31.27 64.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.46 ' HE2' ' CD1' ' A' ' 33' ' ' LEU . 38.7 mtm -77.84 -42.89 32.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.791 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 45' ' ' GLU . 44.1 mt -67.02 -54.72 18.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -36.81 -38.67 0.32 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.15 -42.02 60.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' LEU . 31.6 mm-40 -55.87 -42.74 76.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.518 ' CH2' ' HG2' ' A' ' 54' ' ' LYS . 34.6 t-105 -58.81 -41.11 85.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -74.9 -19.1 60.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -97.38 -8.36 29.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.954 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.443 HD11 ' CE3' ' A' ' 46' ' ' TRP . 12.8 mt -51.87 168.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -82.27 158.35 66.78 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.516 0.674 . . . . 0.0 110.977 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 3.24 2.91 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.654 2.236 . . . . 0.0 112.348 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -115.03 -34.35 5.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -81.34 -51.59 8.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.518 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 17.3 tttt -52.66 -40.69 63.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.952 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -67.97 -48.14 66.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -52.17 -50.99 60.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -47.66 -43.6 26.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.6 mt -56.63 -56.2 24.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.936 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -55.69 -50.94 68.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -42.11 -53.65 3.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.19 -48.88 66.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.076 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -40.7 -53.02 2.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -38.75 -40.11 0.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -74.64 -56.73 4.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.017 0.437 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -40.92 -30.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -62.37 -68.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -57.11 -31.11 64.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.549 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.4 OUTLIER -63.44 -47.72 80.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.965 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.467 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 14.3 mt -43.28 -61.4 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 74' ' ' ALA . 36.7 mtmm -50.49 -47.41 57.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.434 ' CB ' ' HB3' ' A' ' 8' ' ' PRO . 23.0 mm-40 -53.04 -21.39 4.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.457 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 16.9 tp -82.09 -58.53 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.467 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 12.7 p-90 -90.45 -54.15 4.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 70' ' ' LYS . . . -41.76 -25.97 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.09 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -91.33 -45.05 8.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.959 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -57.68 -46.93 83.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -83.58 16.96 2.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.7 t -92.73 152.61 19.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -55.94 -44.9 78.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.84 -21.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.202 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -77.86 -46.46 21.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -66.78 -54.08 26.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.955 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.8 p -49.51 -30.46 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 61.7 m -93.83 152.05 19.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.0 t -62.86 164.89 7.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -150.76 161.46 42.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.1 m -39.24 -45.03 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -85.94 -161.72 35.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.463 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 136.94 34.06 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.26 . . . . 0.0 112.342 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.2 t -90.07 -53.22 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 t -47.25 -46.61 24.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.899 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.527 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -165.48 178.01 7.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 110.893 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -155.84 149.71 25.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.11 94.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 p -124.42 137.28 54.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.897 0.379 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 t -100.57 148.25 25.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.51 -158.3 0.27 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.446 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.55 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.7 Cg_endo -69.72 168.69 20.77 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.375 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' C ' ' CE2' ' A' ' 68' ' ' TYR . 3.5 tppt? -97.24 111.47 23.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.13 115.75 14.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.629 0.728 . . . . 0.0 111.097 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -163.78 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 2.28 . . . . 0.0 112.399 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 m -119.81 145.63 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.986 0.422 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -63.97 165.16 9.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.486 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -54.74 -33.5 55.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.444 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -64.02 -61.9 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.972 0.415 . . . . 0.0 110.903 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.9 t -60.25 -41.09 85.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.7 ttt-85 -44.9 -43.17 8.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -71.11 -30.5 66.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.985 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.1 mt -77.52 -17.04 58.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -79.91 -53.81 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -61.25 -47.91 83.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.416 ' CG ' ' O ' ' A' ' 18' ' ' PHE . 2.7 mmp_? -62.07 -43.51 98.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.931 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' ARG . 1.2 tmt_? -37.32 -43.34 0.54 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -65.48 -48.22 73.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -52.78 -45.73 67.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 29' ' ' ARG . 42.8 mm -62.91 -61.23 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' ILE . 15.6 mmm180 -35.04 -48.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.8 m -55.37 -43.59 75.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 26' ' ' ILE . 30.8 mtt85 -77.85 -56.23 4.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -108.01 75.45 0.54 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.647 0.737 . . . . 0.0 110.83 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.68 -2.17 9.65 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.69 2.26 . . . . 0.0 112.329 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -100.87 -23.34 14.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 mt -68.55 125.25 91.54 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.535 0.683 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.479 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.2 Cg_endo -69.75 -163.19 0.1 Allowed 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.594 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.34 -58.88 2.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.691 0.757 . . . . 0.0 110.897 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.8 Cg_endo -69.75 19.44 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.387 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.516 ' H ' ' C ' ' A' ' 35' ' ' PHE . 9.1 mm-40 -126.05 -25.45 3.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.4 mt -87.51 -43.13 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.224 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.0 m -62.42 -41.77 98.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -57.5 -33.89 68.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 39.1 mtm -72.26 -49.64 33.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.88 -35.15 80.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.64 -42.9 45.65 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.53 -36.82 85.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.795 0.331 . . . . 0.0 111.162 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -62.2 -41.14 98.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.438 ' CE2' ' HE2' ' A' ' 54' ' ' LYS . 61.3 t-105 -49.83 -36.98 28.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -81.86 -23.71 36.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -95.19 9.77 38.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.409 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.6 mt -71.19 175.47 5.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -91.16 159.24 40.03 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.542 0.687 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 2.19 3.74 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.302 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.09 -35.42 5.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -81.12 -53.43 6.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.438 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 23.1 tttm -50.48 -43.8 55.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -65.31 -55.76 16.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -45.48 -45.92 13.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -52.97 -44.98 67.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.5 mt -56.51 -57.81 10.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 62' ' ' GLU . 38.6 t70 -57.8 -53.0 63.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.795 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -45.04 -39.73 5.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.486 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -74.64 -27.67 60.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 59' ' ' ASP . 80.4 mt-10 -72.78 -36.89 67.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -74.49 -34.51 63.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -76.15 -18.81 58.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.488 ' CG ' ' CD2' ' A' ' 69' ' ' LEU . 6.4 ttmt -75.88 -60.54 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -49.34 -31.12 8.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -65.35 -30.87 71.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.55 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -89.67 -33.97 16.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.83 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.569 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 1.4 mm? -49.25 -56.54 9.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.519 ' HG2' ' CZ2' ' A' ' 73' ' ' TRP . 44.8 mtpt -58.95 -31.4 68.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -67.98 -3.39 9.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.469 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 57.5 tp -103.17 -50.73 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.569 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 7.7 p-90 -95.88 -52.94 3.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -45.87 -22.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.099 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -92.24 -54.63 3.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.452 ' O ' ' CD2' ' A' ' 81' ' ' TYR . 69.0 mt-30 -51.24 -37.47 47.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -65.58 -41.31 93.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.6 p -38.23 129.06 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.807 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -43.48 -50.22 7.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.48 -45.08 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.452 ' CD2' ' O ' ' A' ' 76' ' ' GLN . 80.2 t80 -52.65 -50.18 63.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' VAL . 35.7 mtpt -74.78 -60.87 2.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' LYS . 13.2 p 34.75 35.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 82' ' ' LYS . 26.8 p -135.97 175.28 9.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 40.5 p -50.8 137.8 19.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -136.79 147.94 46.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.1 p -79.92 179.34 7.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.78 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.75 147.4 11.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -171.95 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.648 2.232 . . . . 0.0 112.359 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.8 t -107.91 151.18 26.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.8 m -64.03 162.72 13.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.559 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.7 m -87.99 138.1 31.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 110.903 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -44.09 -55.28 4.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.33 111.82 0.47 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 m -110.56 121.71 45.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 m -149.68 152.84 36.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.62 166.11 32.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.535 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.577 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.4 Cg_endo -69.72 145.96 58.98 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.7 2.267 . . . . 0.0 112.368 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.66 114.32 15.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.08 110.55 2.76 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.625 0.726 . . . . 0.0 111.106 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 143.5 50.92 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.467 ' CG2' ' HG3' ' A' ' 17' ' ' ARG . 8.1 m -61.52 152.74 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 t -85.31 153.23 22.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.58 -19.22 0.76 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -78.42 -34.4 48.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 0.0 110.921 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 19' ' ' LEU . 18.7 t -77.02 -51.76 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.467 ' HG3' ' CG2' ' A' ' 12' ' ' VAL . 2.1 mtt-85 -38.03 -36.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.563 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 27.2 t80 -75.71 -39.71 56.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 16' ' ' VAL . 85.6 mt -61.32 -39.65 91.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -64.06 -74.74 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -41.03 -48.43 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 24.3 mmt180 -62.73 -52.14 64.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.42 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 2.6 tmm_? -36.43 -30.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 22' ' ' ARG . 11.6 tt0 -71.44 -47.72 54.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 22' ' ' ARG . 45.0 mm-40 -55.71 -40.45 72.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.461 ' CG2' HG21 ' A' ' 38' ' ' ILE . 36.7 mm -68.23 -58.8 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' ILE . 20.3 mmt180 -36.47 -42.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.83 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.3 m -59.69 -47.4 85.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' ILE . 21.5 mtt180 -75.73 -53.98 7.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -107.19 75.06 0.42 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.541 0.686 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -2.38 10.04 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.749 2.299 . . . . 0.0 112.305 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -102.02 -31.67 10.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 mt -59.68 125.33 79.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.471 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.2 Cg_endo -69.75 -163.16 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.514 ' C ' ' H ' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -72.29 -58.82 2.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.659 0.742 . . . . 0.0 110.87 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.4 Cg_endo -69.76 19.53 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.716 2.278 . . . . 0.0 112.343 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' A' ' 35' ' ' PHE . 20.3 mm-40 -126.09 -25.54 3.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.461 HG21 ' CG2' ' A' ' 26' ' ' ILE . 81.4 mt -87.87 -40.68 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.06 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.1 m -63.82 -45.3 90.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -51.24 -33.95 30.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 53.7 mtm -73.74 -47.54 38.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.2 mt -59.2 -41.43 88.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -44.41 -38.09 5.06 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.92 -37.05 85.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.722 0.296 . . . . 0.0 111.083 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -66.02 -38.44 88.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.523 ' CE3' HD12 ' A' ' 49' ' ' LEU . 69.5 t-105 -55.63 -33.13 63.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.8 t -81.1 -20.2 41.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -100.07 11.86 38.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.961 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.523 HD12 ' CE3' ' A' ' 46' ' ' TRP . 11.1 mt -72.92 156.2 39.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -75.16 159.6 82.15 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.561 0.696 . . . . 0.0 110.96 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 1.68 4.22 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.381 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.29 -39.54 4.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -75.04 -55.18 6.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.507 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 6.9 tttp -48.65 -41.8 32.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -70.31 -45.9 65.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -52.67 -42.53 64.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -59.09 -42.74 91.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 33.9 mt -59.53 -55.61 32.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -55.63 -48.36 75.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -45.46 -57.69 3.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.84 98.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 65' ' ' LYS . 35.6 mt-10 -53.64 -52.85 58.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -46.81 -32.16 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -84.44 -24.03 29.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.824 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' GLU . 68.4 tttt -64.97 -42.31 94.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -47.42 -53.26 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -52.58 -65.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.577 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -44.84 -50.53 10.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.42 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 12.3 mt -46.62 -62.51 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.526 ' HA ' ' CE2' ' A' ' 73' ' ' TRP . 47.4 mttm -48.53 -59.22 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.485 ' O ' ' C ' ' A' ' 72' ' ' LEU . 13.3 mt-10 -40.93 -59.77 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.487 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 16.0 tp -31.53 -75.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.526 ' CE2' ' HA ' ' A' ' 70' ' ' LYS . 13.0 p-90 -73.65 -55.83 5.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -32.9 -35.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.501 ' N ' ' O ' ' A' ' 73' ' ' TRP . 2.0 t80 -86.01 -55.14 4.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -39.69 -32.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -102.26 48.57 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.9 t -137.33 151.02 48.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.32 -44.78 23.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.42 -38.28 28.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -65.83 -46.38 78.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -67.15 -57.49 6.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.3 p -52.51 -40.4 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.155 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 93.5 m -77.09 157.24 31.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.6 p -75.44 135.86 40.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -119.46 130.56 55.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.8 t -44.5 110.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.69 78.95 0.14 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.441 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 109.64 2.36 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.5 m -150.64 129.13 12.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.3 m -46.82 104.05 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.533 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 m -135.0 140.08 45.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -105.53 81.79 1.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.77 106.04 1.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -117.49 100.15 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 t -166.21 132.15 2.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.833 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.39 -171.87 52.61 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.445 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.458 ' HB3' ' CB ' ' A' ' 71' ' ' GLU . 53.1 Cg_endo -69.8 149.99 67.37 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.607 2.204 . . . . 0.0 112.329 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -76.83 95.56 4.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.496 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -47.54 105.93 0.54 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.596 0.712 . . . . 0.0 111.082 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 174.22 9.85 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.712 2.275 . . . . 0.0 112.322 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.8 m -105.72 159.55 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.174 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 14' ' ' GLY . 23.2 p -84.49 148.76 26.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.501 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -35.75 -40.9 0.36 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.442 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -60.95 -58.1 9.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.934 0.397 . . . . 0.0 110.932 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 17' ' ' ARG . 85.8 t -63.3 -52.55 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 16' ' ' VAL . 30.6 ttt85 -37.09 -59.37 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.55 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -57.32 -39.46 75.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.2 mt -62.47 -31.38 72.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -68.22 -60.39 2.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -51.87 -44.2 63.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.55 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 12.6 mmt180 -68.26 -45.89 71.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 2.0 tmm_? -37.51 -35.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -70.21 -48.48 56.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' ARG . 24.0 mm-40 -52.17 -41.28 62.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 29' ' ' ARG . 33.4 mm -67.63 -60.96 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' ILE . 16.8 mmt180 -35.74 -48.88 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.4 m -55.13 -43.83 74.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 26' ' ' ILE . 79.2 mtt180 -76.88 -57.42 3.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -107.53 76.94 0.55 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -2.32 9.93 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.745 2.296 . . . . 0.0 112.334 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -100.89 -21.01 15.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.8 mt -70.59 123.8 89.75 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.6 0.714 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.466 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.9 Cg_endo -69.74 -163.05 0.1 OUTLIER 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.58 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.61 -58.91 2.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 110.826 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.1 Cg_endo -69.76 19.37 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.687 2.258 . . . . 0.0 112.352 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' A' ' 35' ' ' PHE . 22.9 mm-40 -125.57 -25.48 3.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 87.1 mt -87.58 -43.77 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.6 m -61.64 -46.66 88.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 41' ' ' MET . 18.7 pttp -51.13 -35.4 35.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.434 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 45.0 mtm -71.9 -44.93 62.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 45' ' ' GLU . 86.5 mt -61.7 -50.03 74.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -35.55 -41.93 0.42 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.68 96.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.754 0.311 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' LEU . 16.4 mm-40 -61.75 -46.95 87.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.482 ' CE3' HD11 ' A' ' 49' ' ' LEU . 58.9 t-105 -51.05 -39.89 56.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.4 t -75.31 -25.06 57.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -95.99 6.91 47.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.482 HD11 ' CE3' ' A' ' 46' ' ' TRP . 12.6 mt -69.02 161.53 28.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -75.44 158.32 83.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.663 0.744 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 1.93 3.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.308 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.1 -39.45 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -76.01 -53.96 7.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.434 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 34.3 tttt -53.33 -47.73 69.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -62.23 -47.86 82.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -55.8 -45.41 78.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -52.2 -40.32 61.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.25 -45.15 94.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -69.88 -30.72 68.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -63.55 -31.53 72.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.501 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -88.2 -51.26 5.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.507 ' CG ' ' N ' ' A' ' 63' ' ' LYS . 7.7 pt-20 -46.52 -49.13 19.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.507 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 50.3 mtmt -58.24 -48.21 81.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -55.74 -47.04 77.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 67' ' ' GLN . 16.6 tttp -60.07 -51.3 70.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -38.47 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 65' ' ' LYS . 4.9 tt0 -88.55 -53.65 4.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.496 ' CE2' ' HA ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -43.67 -26.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.595 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 4.0 mm? -67.65 -54.01 23.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.447 ' HA ' ' NE1' ' A' ' 73' ' ' TRP . 35.7 mttp -66.47 -4.41 8.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.458 ' CB ' ' HB3' ' A' ' 8' ' ' PRO . 20.3 mt-10 -104.11 2.63 32.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.431 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 52.7 tp -100.95 -38.66 8.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 3.4 p-90 -102.29 -54.45 2.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -41.69 -23.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' TRP . 2.7 t80 -91.75 -49.65 6.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -50.35 -31.15 13.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -111.75 35.03 3.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.7 p -88.58 169.86 11.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -69.94 -24.83 63.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.21 -42.22 46.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -58.51 -44.8 89.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.94 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 83' ' ' VAL . 30.5 mttp -79.15 -60.67 2.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.933 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 82' ' ' LYS . 10.5 p 33.9 39.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.4 t -149.35 155.38 40.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.4 t -95.24 134.51 37.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.09 171.23 7.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 m -128.54 143.85 51.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 146.94 -101.31 0.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 164.7 33.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.629 2.219 . . . . 0.0 112.379 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.2 t -157.42 128.92 6.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.1 t -105.77 171.73 7.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.7 p -134.98 111.5 9.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.882 0.372 . . . . 0.0 110.847 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.3 m -92.0 156.17 17.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.1 77.79 0.87 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.532 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 p -117.6 -175.19 2.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 p -118.18 114.63 23.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.61 -157.07 27.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.529 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.561 ' HG2' ' CE2' ' A' ' 68' ' ' TYR . 54.2 Cg_endo -69.72 128.45 16.09 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.322 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.67 101.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.55 127.66 4.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.564 0.697 . . . . 0.0 111.15 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -176.03 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.312 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 17' ' ' ARG . 22.5 m -109.16 169.59 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 16' ' ' VAL . 75.3 p -105.87 145.93 30.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.13 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -36.48 -33.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 13' ' ' THR . 24.7 t80 -72.22 -42.65 65.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.349 . . . . 0.0 110.892 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 13' ' ' THR . 59.9 t -68.44 -68.73 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.454 ' HB3' ' CG2' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -41.38 -27.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.416 ' CE2' ' HG3' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -78.53 -38.4 40.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 16' ' ' VAL . 7.4 mt -54.39 -47.17 73.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -67.58 -59.38 3.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -39.48 -45.44 1.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.419 ' CB ' HD23 ' A' ' 42' ' ' LEU . 36.8 mmt180 -83.74 -33.06 25.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 5.2 tmm_? -41.54 -39.65 1.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -68.05 -42.05 81.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -55.71 -39.74 71.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 29' ' ' ARG . 32.7 mm -68.76 -58.73 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' ILE . 17.6 mmm180 -36.92 -46.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.3 m -57.12 -41.99 80.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' ILE . 12.0 mtt-85 -80.08 -57.9 3.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.802 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -107.18 74.99 0.42 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.582 0.706 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.85 -1.94 9.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.662 2.241 . . . . 0.0 112.396 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -101.71 -25.53 13.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.86 126.24 90.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.471 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.5 Cg_endo -69.8 -163.23 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.316 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.592 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.19 -58.89 2.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 110.818 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.9 Cg_endo -69.76 19.48 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' A' ' 35' ' ' PHE . 17.5 mm-40 -126.03 -24.72 3.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 87.2 mt -88.76 -40.92 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.3 m -66.1 -46.34 77.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 41' ' ' MET . 10.2 pttm -51.15 -27.98 9.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.846 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.405 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 38.9 mtm -78.64 -48.15 15.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 45' ' ' GLU . 73.6 mt -56.92 -45.36 82.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.08 -47.48 2.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.34 -33.16 75.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' LEU . 6.5 mm-40 -63.68 -51.08 66.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.564 ' CE3' HD11 ' A' ' 49' ' ' LEU . 61.1 t-105 -47.18 -35.67 7.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.3 t -78.57 -25.53 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.97 0.414 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -96.95 10.51 38.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.564 HD11 ' CE3' ' A' ' 46' ' ' TRP . 11.4 mt -68.29 161.62 26.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -82.14 160.52 62.7 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 0.0 110.976 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.84 3.18 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.52 -38.55 4.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -75.94 -52.5 10.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.547 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 22.3 tttt -51.83 -47.8 64.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -59.89 -41.07 90.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.4 ttt85 -61.29 -50.88 71.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -52.37 -39.21 60.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.2 mt -65.91 -64.58 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.977 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -56.19 -22.97 32.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -65.62 -42.04 91.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.454 ' CB ' ' HD2' ' A' ' 17' ' ' ARG . . . -76.89 -41.72 42.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 65' ' ' LYS . 64.9 mt-10 -43.4 -53.85 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -42.74 -45.4 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -68.23 -31.01 70.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' GLU . 17.5 tttp -59.47 -51.18 70.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -44.78 -36.3 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -69.34 -67.93 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.561 ' CE2' ' HG2' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -41.4 -44.46 2.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.547 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 11.0 mt -49.25 -58.19 5.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.509 ' HA ' ' CE2' ' A' ' 73' ' ' TRP . 53.4 mttp -49.94 -68.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 72' ' ' LEU . 21.6 mm-40 -35.25 -59.14 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.487 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 29.2 tp -30.39 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.547 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 11.3 p-90 -74.57 -53.49 9.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -37.62 -28.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 77' ' ' GLN . 1.2 t80 -86.93 -61.12 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.566 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 68.6 mt-30 -38.74 -26.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 75' ' ' TYR . 21.4 mm-40 -75.75 -45.26 37.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.82 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 75' ' ' TYR . 4.0 p -36.12 146.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -41.04 89.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.89 -36.47 17.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.566 ' CD1' ' HA ' ' A' ' 76' ' ' GLN . 61.8 t80 -59.42 -48.74 80.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 83' ' ' VAL . 1.6 mtpm? -72.3 -62.81 1.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.975 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.471 ' C ' ' O ' ' A' ' 82' ' ' LYS . 7.6 p 31.84 43.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 m -134.75 -178.01 4.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.99 126.28 48.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -164.4 137.7 5.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.6 p -100.18 129.19 46.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -72.5 -142.0 0.42 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 168.75 20.74 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.624 2.216 . . . . 0.0 112.393 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 96.4 p -111.68 171.68 7.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 m -103.12 130.26 50.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.463 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 t -110.31 102.34 11.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.85 0.357 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 m -71.34 -45.7 62.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.85 -150.13 12.98 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 p -93.45 159.36 15.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 t -123.39 -40.7 2.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.61 -159.97 15.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.554 ' HG2' ' CE2' ' A' ' 68' ' ' TYR . 53.2 Cg_endo -69.77 133.32 25.27 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.634 2.222 . . . . 0.0 112.371 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -60.53 98.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -37.99 134.24 0.86 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.558 0.694 . . . . 0.0 111.061 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.42 ' C ' HG11 ' A' ' 12' ' ' VAL . 54.2 Cg_endo -69.7 -169.32 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.42 HG11 ' C ' ' A' ' 11' ' ' PRO . 4.3 m -139.21 163.06 26.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.169 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 p -78.75 154.88 29.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.183 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.91 -14.67 5.69 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.509 ' CZ ' HD12 ' A' ' 19' ' ' LEU . 22.7 t80 -92.34 -20.02 21.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.938 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 19' ' ' LEU . 54.2 t -87.3 -58.79 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.08 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -40.4 -34.29 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.963 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.517 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -78.76 -37.2 41.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.812 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.509 HD12 ' CZ ' ' A' ' 15' ' ' TYR . 11.5 mt -58.95 -50.01 75.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -68.04 -56.46 8.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -47.99 -42.6 28.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.488 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 32.2 mmt180 -79.49 -31.46 42.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.422 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 3.3 tmm_? -53.65 -26.0 20.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -76.06 -46.05 31.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -54.28 -38.87 66.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' ARG . 21.7 mm -69.07 -59.54 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 26' ' ' ILE . 19.6 mmt180 -36.04 -45.7 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 60.9 m -58.35 -42.27 86.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 26' ' ' ILE . 65.0 mtt180 -80.02 -57.16 3.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -108.06 74.86 0.51 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -1.27 8.19 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.365 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.97 -34.64 10.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.823 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.486 ' CD1' ' HE3' ' A' ' 41' ' ' MET . 12.6 mt -55.68 120.97 36.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.558 0.694 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.493 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 54.1 Cg_endo -69.8 163.16 39.34 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.707 2.271 . . . . 0.0 112.372 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -41.78 -57.93 3.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.656 0.741 . . . . 0.0 110.921 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.4 Cg_endo -69.74 19.5 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.589 2.193 . . . . 0.0 112.424 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.516 ' H ' ' C ' ' A' ' 35' ' ' PHE . 3.2 mm-40 -130.78 -26.84 2.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.0 -36.31 11.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 m -68.46 -47.1 68.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -46.85 -27.91 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.486 ' HE3' ' CD1' ' A' ' 33' ' ' LEU . 27.8 mtm -81.15 -49.05 11.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.407 ' CD2' ' HB3' ' A' ' 22' ' ' ARG . 83.3 mt -55.43 -47.87 75.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -45.25 -49.08 10.54 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.546 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.32 -40.01 77.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 111.1 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -61.5 -42.13 98.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.551 ' CE3' HD13 ' A' ' 49' ' ' LEU . 66.8 t-105 -55.59 -36.4 66.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 t -76.87 -27.83 55.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -97.28 10.36 39.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.551 HD13 ' CE3' ' A' ' 46' ' ' TRP . 11.6 mt -66.62 169.12 8.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -85.36 159.55 55.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.546 0.688 . . . . 0.0 110.939 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -0.75 7.46 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.702 2.268 . . . . 0.0 112.32 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.53 -36.13 5.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -77.93 -52.55 8.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.488 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 20.5 tttt -52.35 -39.07 60.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -73.27 -44.77 58.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.403 ' NH2' ' CE1' ' A' ' 57' ' ' TYR . 35.7 ttp85 -54.59 -33.4 60.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.403 ' CE1' ' NH2' ' A' ' 56' ' ' ARG . 16.0 m-85 -67.49 -40.18 85.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 38.9 mt -61.06 -57.43 12.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -57.8 -55.01 40.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -43.08 -49.69 6.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.86 94.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -58.72 -54.08 51.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -43.39 66.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -57.63 -38.47 75.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -51.75 -50.19 61.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -45.34 -50.96 11.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -50.12 -62.91 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.554 ' CE2' ' HG2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -45.0 -55.37 5.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.598 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 14.4 mt -44.51 -57.3 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HA ' ' CE2' ' A' ' 73' ' ' TRP . 9.4 mtpm? -48.4 -61.44 2.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.484 ' O ' ' C ' ' A' ' 72' ' ' LEU . 22.0 mm-40 -44.87 -57.48 3.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 71' ' ' GLU . 27.8 tp -31.41 -75.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.598 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 13.2 p-90 -72.59 -54.61 8.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -36.05 -31.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' TRP . 1.8 t80 -86.79 -57.07 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -41.35 -42.32 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -57.05 -40.1 76.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -45.06 125.2 5.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 82' ' ' LYS . 21.7 mm-40 -43.71 -56.53 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 79' ' ' GLU . . . -33.99 -35.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 79' ' ' GLU . 50.0 t80 -65.98 -48.6 70.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 79' ' ' GLU . 34.6 mttp -65.56 -57.96 6.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.433 ' CG1' ' HA ' ' A' ' 80' ' ' ALA . 9.7 p -47.7 -38.96 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 85.1 m -91.01 165.29 13.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.0 p 43.48 35.27 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -44.13 120.89 2.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 m -148.48 119.8 7.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 158.83 143.22 3.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.493 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 97.03 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.293 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.0 t -84.32 144.02 29.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.6 t -48.49 97.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.545 -179.927 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -128.99 178.29 6.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.836 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 p -168.3 131.26 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.43 134.28 8.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -138.46 149.21 45.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -62.18 155.41 24.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.76 -163.08 0.7 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.443 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.515 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.7 Cg_endo -69.76 159.31 53.87 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.243 . . . . 0.0 112.329 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -83.05 103.56 12.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.552 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -54.26 110.35 2.06 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.624 0.726 . . . . 0.0 111.108 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.516 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.77 161.02 47.56 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.3 m -64.82 157.7 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.071 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 14' ' ' GLY . 82.4 p -92.54 153.96 18.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -34.5 -40.65 0.19 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.443 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -63.11 -67.13 0.45 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.925 0.393 . . . . 0.0 110.89 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 17' ' ' ARG . 75.0 t -54.03 -49.18 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.097 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' VAL . 22.1 ttm-85 -34.86 -59.61 0.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -58.75 -43.07 90.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.4 mt -57.31 -41.31 79.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -68.24 -55.87 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -50.54 -46.64 57.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 25' ' ' GLN . 7.7 mmm180 -73.06 -42.02 63.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 22' ' ' ARG . 2.3 tmm_? -34.18 -54.31 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -51.9 -46.08 64.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' ARG . 14.5 mm-40 -53.05 -44.61 67.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 29' ' ' ARG . 34.4 mm -62.5 -61.86 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 26' ' ' ILE . 37.5 mmm-85 -34.39 -48.52 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.9 m -55.73 -44.43 77.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.2 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 26' ' ' ILE . 25.5 mtp180 -78.02 -57.68 3.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -107.23 74.68 0.41 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 121.663 0.744 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -1.76 9.06 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -100.19 -24.16 14.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.67 124.66 89.85 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.48 ' CG ' ' HG3' ' A' ' 37' ' ' GLU . 54.0 Cg_endo -69.71 -163.12 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.373 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.527 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.36 -58.71 2.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 0.0 110.865 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.2 Cg_endo -69.9 19.66 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.689 2.259 . . . . 0.0 112.313 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.509 ' H ' ' C ' ' A' ' 35' ' ' PHE . 8.2 mm-40 -126.49 -27.08 3.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.3 mt -84.61 -42.39 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.6 m -63.85 -45.61 88.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 41' ' ' MET . 10.8 ptmt -53.99 -30.69 48.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.415 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 31.1 mtm -74.87 -44.98 46.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.36 -45.62 90.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.37 -52.57 5.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.493 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.48 -39.43 48.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -66.95 -45.75 76.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.835 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 71.6 t-105 -54.97 -33.49 62.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 t -81.93 -24.71 35.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -99.79 18.64 17.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.1 mt -78.11 167.08 21.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -84.36 160.05 57.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.548 0.69 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 2.25 3.67 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.726 2.284 . . . . 0.0 112.352 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.53 -38.53 4.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -76.31 -54.64 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -50.98 -45.15 60.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -65.24 -43.87 89.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -54.73 -48.3 72.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -54.35 -44.27 72.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.007 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.5 mt -58.56 -52.59 65.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -58.21 -49.18 77.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -48.28 -50.14 31.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.73 -32.43 70.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -61.78 -56.0 24.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -53.81 -60.69 2.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 65' ' ' LYS . 74.9 mm-40 -48.54 -49.64 35.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' GLU . 26.4 tttp -33.78 -60.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 69' ' ' LEU . 10.1 mm100 -37.66 -56.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.508 ' C ' ' CD ' ' A' ' 67' ' ' GLN . 0.9 OUTLIER -39.5 -41.25 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.552 ' CE2' ' HA ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -79.41 -34.95 41.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.554 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 4.7 mp -53.25 -51.47 62.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 1.8 tttp -55.5 -34.98 65.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -72.28 -2.83 20.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.467 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 46.4 tp -99.98 -56.76 2.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.554 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 10.6 p-90 -89.93 -56.38 3.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -42.0 -36.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -75.68 -42.79 50.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.972 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.486 ' HG2' ' CE2' ' A' ' 81' ' ' TYR . 32.9 mt-30 -65.9 -14.64 61.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -93.96 -4.25 50.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.0 t -85.43 135.86 33.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 82' ' ' LYS . 26.8 tt0 -49.1 -49.8 40.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.41 ' HA ' ' CG1' ' A' ' 83' ' ' VAL . . . -37.83 -36.57 0.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.043 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.486 ' CE2' ' HG2' ' A' ' 76' ' ' GLN . 5.8 t80 -62.45 -45.19 94.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 79' ' ' GLU . 46.7 mtpt -70.91 -59.81 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.961 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 9.3 p -49.76 114.54 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.6 m -156.59 170.25 22.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.0 p -99.04 112.69 24.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -105.69 104.55 14.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 79.9 p -155.25 166.59 33.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.79 83.31 0.32 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 90' ' ' SER . 53.9 Cg_endo -69.77 -33.11 17.2 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.637 2.224 . . . . 0.0 112.321 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 89' ' ' PRO . 58.6 p -37.56 125.31 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -75.08 122.03 22.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t -150.33 114.18 5.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -41.9 -58.48 2.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.75 87.24 0.61 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -150.16 119.89 7.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.905 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 m -60.94 166.73 3.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.08 -157.38 4.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.567 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 54.1 Cg_endo -69.76 130.21 18.95 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.653 2.235 . . . . 0.0 112.404 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -65.67 109.85 2.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.04 115.13 8.3 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.588 0.708 . . . . 0.0 111.08 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 142.25 47.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.645 2.23 . . . . 0.0 112.313 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.0 m -57.79 130.76 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.1 t -72.73 159.72 33.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -42.6 -37.14 2.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.465 ' CZ ' HD13 ' A' ' 19' ' ' LEU . 17.0 t80 -61.34 -63.0 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.939 0.399 . . . . 0.0 110.932 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 19' ' ' LEU . 72.9 t -60.97 -51.93 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.102 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' VAL . 18.7 ttt180 -38.02 -45.28 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.56 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -70.89 -36.09 72.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 16' ' ' VAL . 77.9 mt -69.35 -29.5 67.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.983 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -73.89 -39.73 63.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -72.39 -50.95 22.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 25.5 mmt-85 -62.0 -45.56 93.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.467 ' HD2' ' CG2' ' A' ' 38' ' ' ILE . 3.2 tpt180 -39.76 -30.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -76.78 -40.25 48.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 22' ' ' ARG . 6.1 mm100 -57.6 -37.75 73.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' ARG . 28.3 mm -70.05 -60.64 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' ILE . 12.2 mmt180 -34.39 -43.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.9 m -57.9 -48.63 79.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' ILE . 5.5 mtt-85 -76.35 -52.89 9.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.765 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -107.51 76.48 0.53 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -1.38 8.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -100.58 -22.6 14.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.433 ' CD1' ' HE2' ' A' ' 41' ' ' MET . 8.7 mt -69.36 124.97 91.6 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.673 0.749 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.488 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.0 Cg_endo -69.74 -163.08 0.1 OUTLIER 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.687 2.258 . . . . 0.0 112.387 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.622 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.75 -58.7 2.64 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.61 0.719 . . . . 0.0 110.869 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.4 Cg_endo -69.85 19.33 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' A' ' 35' ' ' PHE . 25.3 mm-40 -125.68 -23.66 3.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.467 ' CG2' ' HD2' ' A' ' 23' ' ' ARG . 90.6 mt -90.89 -45.99 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.201 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.3 m -62.69 -41.21 98.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.196 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 41' ' ' MET . 12.9 ptmm? -55.38 -41.57 72.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.433 ' HE2' ' CD1' ' A' ' 33' ' ' LEU . 29.8 mtm -65.92 -42.24 90.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 23' ' ' ARG . 30.5 mt -62.02 -38.68 89.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.34 -40.62 30.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.43 -31.52 72.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.298 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -70.75 -43.6 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.559 ' CE3' HD11 ' A' ' 49' ' ' LEU . 61.5 t-105 -46.84 -41.94 16.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.8 t -73.93 -24.34 59.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -89.15 -12.44 41.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.948 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.559 HD11 ' CE3' ' A' ' 46' ' ' TRP . 12.0 mt -49.32 162.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -79.3 159.32 72.84 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.593 0.711 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.04 3.88 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.361 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.82 -35.34 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -78.49 -50.46 11.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.489 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 23.6 tttt -54.35 -38.55 66.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -71.48 -47.85 52.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -53.62 -47.81 69.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -48.5 -42.29 32.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.6 mt -59.17 -58.5 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -53.23 -47.45 68.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -45.57 -50.5 13.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.53 -44.55 86.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -47.02 -58.66 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.412 ' NZ ' ' HA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -39.95 -55.24 2.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.59 -44.28 96.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -40.36 -43.23 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -50.96 -48.44 60.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -53.16 -38.3 62.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.567 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -73.53 -41.54 62.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.824 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.2 mt -54.15 -68.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.509 ' HA ' ' CE2' ' A' ' 73' ' ' TRP . 22.8 pttt -39.01 -54.17 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 72' ' ' LEU . 6.8 mm-40 -51.46 -54.05 30.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.475 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 4.9 tp -31.94 -65.18 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.509 ' CE2' ' HA ' ' A' ' 70' ' ' LYS . 7.8 p-90 -83.77 -55.77 4.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -33.51 -36.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 73' ' ' TRP . 3.6 t80 -84.64 -48.11 9.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.966 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 73' ' ' TRP . 30.8 mt-30 -38.98 -39.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -97.74 69.98 2.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.969 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.9 t -146.83 144.24 29.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -44.45 -42.94 7.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.92 -49.21 66.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -45.32 -39.08 6.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 83' ' ' VAL . 0.3 OUTLIER -83.84 -64.22 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 82' ' ' LYS . 7.8 p 32.56 40.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.1 m -140.86 173.3 11.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.473 ' CG2' ' O ' ' A' ' 85' ' ' THR . 9.2 t -108.97 86.52 2.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -118.92 166.76 12.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.3 t -114.82 156.67 24.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 177.26 -73.54 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.534 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 152.34 69.46 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.712 2.274 . . . . 0.0 112.406 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.1 m -145.86 162.59 37.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.4 p -52.34 128.56 25.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.782 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.477 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 p -119.11 135.35 54.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.93 0.395 . . . . 0.0 110.846 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -75.24 176.53 7.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.34 157.56 15.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.43 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 p -106.02 -49.32 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.393 . . . . 0.0 110.924 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 t -67.29 135.37 53.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.841 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.06 155.81 32.29 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.446 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.447 ' HG3' ' CA ' ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.83 142.21 47.02 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.587 2.191 . . . . 0.0 112.358 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -81.85 113.09 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.491 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -53.36 120.73 22.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.537 0.684 . . . . 0.0 111.169 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -167.87 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.243 . . . . 0.0 112.38 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.3 m -113.5 155.78 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' GLY . 69.2 p -91.77 149.52 21.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -37.5 -37.36 0.33 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.433 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.513 ' CZ ' HD13 ' A' ' 19' ' ' LEU . 23.6 t80 -66.1 -50.66 63.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.935 0.398 . . . . 0.0 110.989 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' ARG . 16.4 t -69.85 -57.8 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.162 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' VAL . 30.6 ttt-85 -36.01 -48.36 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.805 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.53 -42.69 74.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.818 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.513 HD13 ' CZ ' ' A' ' 15' ' ' TYR . 19.3 mt -54.82 -42.95 72.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -64.11 -60.9 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -40.31 -50.71 2.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.457 ' HB3' ' CD2' ' A' ' 42' ' ' LEU . 18.7 mmm180 -71.01 -45.83 63.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 22' ' ' ARG . 2.7 tmm_? -37.03 -47.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -57.95 -48.97 78.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -51.95 -40.18 60.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.423 HG23 ' CE ' ' A' ' 41' ' ' MET . 40.7 mm -68.41 -54.8 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.216 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -42.78 -37.64 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.808 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.8 m -66.62 -45.29 79.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -71.79 -55.27 7.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -117.86 81.35 15.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.599 0.714 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 -1.08 7.87 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.743 2.295 . . . . 0.0 112.282 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -99.34 -31.31 11.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.43 ' CD1' ' HE2' ' A' ' 41' ' ' MET . 10.9 mt -53.15 118.48 14.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.661 0.743 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.499 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 53.7 Cg_endo -69.76 163.32 38.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.74 2.294 . . . . 0.0 112.306 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.517 ' N ' ' HD2' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -41.82 -58.03 3.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.636 0.731 . . . . 0.0 110.876 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.3 Cg_endo -69.73 19.48 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.382 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.504 ' H ' ' C ' ' A' ' 35' ' ' PHE . 11.0 mm-40 -130.8 -26.2 2.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.4 mt -84.87 -32.91 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.7 m -72.69 -45.58 58.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -49.9 -27.51 5.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.43 ' HE2' ' CD1' ' A' ' 33' ' ' LEU . 28.2 mtm -82.63 -43.95 16.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 22' ' ' ARG . 87.4 mt -63.39 -45.96 88.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.68 -50.05 7.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.505 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.89 -39.34 58.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 111.049 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.33 -44.0 96.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.539 ' CE3' HD13 ' A' ' 49' ' ' LEU . 70.7 t-105 -56.06 -35.32 66.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.3 t -77.74 -32.08 52.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.817 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -94.17 20.9 7.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.539 HD13 ' CE3' ' A' ' 46' ' ' TRP . 10.7 mt -80.12 152.97 29.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.938 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -68.41 154.8 93.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.621 0.724 . . . . 0.0 110.952 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 4.04 2.41 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.22 -33.8 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -81.14 -54.06 5.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.484 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 6.8 tttp -48.55 -29.03 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -84.85 -47.59 10.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 56' ' ' ARG . 0.9 OUTLIER -54.97 -32.04 61.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -65.96 -46.72 77.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.1 mt -54.81 -49.4 71.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 62' ' ' GLU . 40.3 t0 -59.17 -59.4 5.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 59' ' ' ASP . 6.1 mm-40 -35.9 -47.82 0.54 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.98 -44.0 90.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' ASP . 27.0 mt-10 -51.47 -57.17 9.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -39.26 -50.74 1.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.09 -47.49 85.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -43.38 -52.15 6.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -54.65 -32.67 59.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -75.89 -46.57 29.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.491 ' CE2' ' HA ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -66.67 -20.91 66.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.596 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 13.2 mt -71.3 -54.98 8.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.517 ' HA ' ' CE2' ' A' ' 73' ' ' TRP . 15.3 ptmt -60.79 -23.55 65.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.407 ' CB ' ' HB3' ' A' ' 8' ' ' PRO . 22.4 mm-40 -82.39 0.85 40.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.447 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 20.6 tp -101.66 -43.61 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 5.0 p-90 -101.02 -56.92 2.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -43.12 -23.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.082 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.413 ' N ' ' C ' ' A' ' 73' ' ' TRP . 2.9 t80 -91.85 -49.62 6.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.474 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 52.6 mt-30 -54.63 -52.64 61.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -88.67 69.1 8.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.8 p -145.6 155.54 43.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -50.09 -38.63 39.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.11 -40.47 89.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.474 ' CG ' ' O ' ' A' ' 76' ' ' GLN . 55.6 t80 -60.24 -43.97 95.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -73.39 -59.11 2.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.452 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 8.3 p -52.48 118.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.8 t -168.33 170.83 9.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.9 t -90.63 129.31 36.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -173.62 167.74 4.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -53.31 127.08 23.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.57 146.63 37.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.488 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -167.54 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.631 2.221 . . . . 0.0 112.389 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.2 t -66.33 -41.23 89.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 55.9 m -90.64 -65.17 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.556 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -166.51 131.54 2.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.88 0.371 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -60.7 -53.83 52.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.9 132.64 11.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.1 p -109.35 92.06 3.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.901 0.381 . . . . 0.0 110.79 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -110.29 107.66 17.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.07 -174.86 3.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.477 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.501 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.8 Cg_endo -69.81 156.82 62.25 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.703 2.269 . . . . 0.0 112.326 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.3 tptp -95.83 111.76 23.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.496 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -50.34 112.64 2.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.631 0.729 . . . . 0.0 111.056 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.475 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 54.0 Cg_endo -69.8 135.1 29.51 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.5 m -46.49 149.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 14' ' ' GLY . 58.6 p -88.76 146.92 24.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.077 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.449 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -35.4 -34.88 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 13' ' ' THR . 23.8 t80 -71.0 -48.28 54.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.982 0.42 . . . . 0.0 110.964 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.443 ' CG1' ' ND2' ' A' ' 20' ' ' ASN . 87.3 t -68.67 -51.63 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.149 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.9 ttt85 -40.3 -52.28 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CE2' ' HG3' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -61.39 -36.36 80.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.6 mt -67.1 -42.97 83.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.443 ' ND2' ' CG1' ' A' ' 16' ' ' VAL . 22.8 m-80 -64.47 -53.05 54.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -55.87 -51.04 68.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.42 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 4.5 mmp_? -64.28 -44.36 91.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' ARG . 5.9 tmm_? -35.78 -54.21 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -45.76 -54.13 8.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.413 ' HG3' ' NH2' ' A' ' 22' ' ' ARG . 29.1 mm100 -47.28 -42.26 20.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.468 ' CG2' HG22 ' A' ' 38' ' ' ILE . 38.1 mm -67.01 -54.75 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -42.33 -35.9 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.811 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 98.5 m -67.51 -36.99 82.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' ILE . 10.8 mtp85 -80.99 -55.53 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.852 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -120.48 80.5 30.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.512 0.672 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -0.58 7.13 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.262 . . . . 0.0 112.352 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -101.16 -15.94 17.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.67 119.04 68.5 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.584 0.707 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.506 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 53.6 Cg_endo -69.74 163.98 36.23 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.638 2.225 . . . . 0.0 112.376 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.612 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -42.19 -58.08 3.8 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.846 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.1 Cg_endo -69.68 19.28 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.502 ' H ' ' C ' ' A' ' 35' ' ' PHE . 3.5 mm-40 -130.71 -22.1 2.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.468 HG22 ' CG2' ' A' ' 26' ' ' ILE . 87.9 mt -92.27 -37.41 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.17 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 m -68.8 -43.72 75.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.2 pttp -53.07 -29.69 31.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 40.7 mtm -78.08 -45.92 22.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.84 -46.58 84.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.7 -48.07 6.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.513 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.46 -33.41 63.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.694 0.283 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -72.27 -40.36 67.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.562 ' CE3' HD13 ' A' ' 49' ' ' LEU . 57.9 t-105 -53.79 -37.61 63.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.9 t -75.23 -27.28 59.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -97.29 12.0 34.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.562 HD13 ' CE3' ' A' ' 46' ' ' TRP . 10.9 mt -70.86 153.79 42.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -67.95 154.67 93.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.658 0.742 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 3.31 2.81 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.699 2.266 . . . . 0.0 112.383 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.98 -33.72 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -80.11 -53.72 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.549 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 14.7 tttt -50.98 -40.76 58.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.444 ' NE2' HD13 ' A' ' 58' ' ' LEU . 41.9 tp60 -70.91 -42.24 70.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -60.96 -33.85 73.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -64.83 -44.12 90.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.444 HD13 ' NE2' ' A' ' 55' ' ' GLN . 38.9 mt -56.3 -50.9 70.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -60.66 -51.67 68.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -41.38 -46.18 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.449 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -75.69 -41.75 52.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -52.97 -55.26 24.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -40.46 -43.22 1.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -75.52 -41.11 56.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -48.57 -45.07 37.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -61.26 -36.26 79.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -72.27 -47.44 50.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.501 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -61.1 -40.94 95.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.554 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 17.1 mt -51.26 -60.02 3.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.966 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 19.3 pttt -56.13 -27.83 55.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -79.1 7.14 7.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.464 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 44.0 tp -111.59 -45.69 3.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.554 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 4.9 p-90 -99.49 -50.7 4.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.989 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -49.56 -18.81 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -100.29 -28.51 12.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -73.6 -16.96 61.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -112.22 36.34 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 59.2 p -104.33 149.0 25.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -56.82 -29.09 62.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.89 82.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -48.55 -42.85 34.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -83.88 -68.13 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.457 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 10.0 p 40.51 38.26 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.9 t -107.28 131.91 53.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 53.7 p -114.43 -47.92 2.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -60.12 105.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.8 m 61.76 42.81 10.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.806 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -147.2 152.7 24.81 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 101.52 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.753 2.302 . . . . 0.0 112.325 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 82.7 p -95.3 172.13 8.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.6 p -92.11 134.85 34.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.6 p -88.7 116.24 26.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 p -93.91 -54.27 3.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.856 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.24 91.14 0.76 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 t -47.94 102.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.793 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -170.9 113.04 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.8 -165.07 52.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.573 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.55 ' HB2' ' CD1' ' A' ' 68' ' ' TYR . 53.1 Cg_endo -69.83 145.86 58.0 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -87.19 112.35 21.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.476 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . . . -47.4 110.79 1.42 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.622 0.725 . . . . 0.0 111.103 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.568 ' HD3' ' CD1' ' A' ' 68' ' ' TYR . 53.4 Cg_endo -69.81 169.03 19.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.735 2.29 . . . . 0.0 112.299 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.1 m -93.1 131.49 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.1 t -74.87 159.0 32.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -38.87 -36.04 0.43 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.54 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -63.7 -61.79 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.41 . . . . 0.0 110.897 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 19' ' ' LEU . 94.3 t -62.29 -54.43 34.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' VAL . 13.1 ttt-85 -34.96 -55.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.536 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -64.18 -37.46 87.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.809 -179.874 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' VAL . 10.2 mt -62.26 -37.4 85.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -67.51 -57.34 6.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -51.94 -51.09 59.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.536 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 20.2 mmt180 -64.57 -48.36 75.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -36.31 -57.68 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -49.15 -48.25 45.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -52.97 -36.38 60.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.46 ' CG2' HG23 ' A' ' 38' ' ' ILE . 44.2 mm -71.09 -53.7 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.2 mmm-85 -42.12 -39.73 2.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.7 m -63.52 -44.36 94.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.169 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -72.51 -54.51 9.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -120.71 81.47 33.19 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.644 0.735 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -0.63 7.26 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -100.05 -26.71 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 mt -58.5 118.42 28.01 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.577 0.703 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.492 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 53.3 Cg_endo -69.72 163.99 36.17 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -42.2 -58.1 3.78 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.683 0.754 . . . . 0.0 110.91 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.3 Cg_endo -69.74 19.48 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.703 2.269 . . . . 0.0 112.343 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.502 ' H ' ' C ' ' A' ' 35' ' ' PHE . 5.5 mm-40 -130.98 -23.74 2.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.46 HG23 ' CG2' ' A' ' 26' ' ' ILE . 94.7 mt -89.98 -34.15 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.0 m -72.7 -42.77 63.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -54.28 -28.61 43.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.873 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.2 mtm -79.19 -47.77 15.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.2 mt -59.88 -49.23 78.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.57 -59.32 1.97 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.527 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.91 -43.24 18.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.712 0.292 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -60.31 -40.46 90.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.515 ' CE2' ' HE2' ' A' ' 54' ' ' LYS . 52.8 t-105 -59.04 -45.7 90.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.3 m -70.81 -20.87 62.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -99.57 10.13 41.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.0 mt -68.26 168.58 12.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -87.06 159.86 50.41 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 2.6 3.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.769 2.312 . . . . 0.0 112.362 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.89 -38.02 4.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -76.26 -53.54 8.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.515 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 21.5 tttt -50.67 -42.15 56.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -67.86 -40.58 83.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 17.5 ttm-85 -59.21 -28.42 66.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -81.52 -42.4 20.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.2 mt -63.65 -30.4 71.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -88.28 -33.17 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 16.5 mm-40 -65.32 -19.72 66.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.96 -42.84 6.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -54.31 -28.79 44.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -75.22 -30.88 60.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -81.6 -25.56 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -71.35 -33.57 69.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -61.17 -39.88 91.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -74.5 -38.44 62.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.568 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 1.9 t80 -62.06 -41.46 98.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.546 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 30.5 mt -55.5 -55.59 30.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 38.1 mtpt -53.39 -41.81 66.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.415 ' CB ' ' HB3' ' A' ' 8' ' ' PRO . 56.5 mm-40 -60.2 -13.32 11.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.441 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 21.5 tp -90.76 -53.38 4.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.546 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 8.9 p-90 -94.83 -51.31 4.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -48.43 -19.46 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -97.37 -38.54 9.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -66.4 -5.16 9.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -127.81 53.5 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.978 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.1 m -122.09 152.68 39.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -50.4 -27.94 7.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.815 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.78 -49.78 19.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -43.23 -36.0 1.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 83' ' ' VAL . 90.2 mttt -88.23 -61.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.47 ' C ' ' O ' ' A' ' 82' ' ' LYS . 8.6 p 32.04 38.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 82' ' ' LYS . 1.9 m -141.47 142.22 33.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.5 p -114.06 155.42 25.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -140.38 135.87 32.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.9 p -43.3 125.85 3.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -126.35 -166.34 12.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.521 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -15.84 37.18 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.0 t -43.11 130.2 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.81 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.2 m -83.04 143.37 30.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.505 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.407 -0.277 . . . . 0.0 112.407 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -84.56 96.13 9.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 110.824 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.6 p -88.2 158.95 18.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.26 -120.08 8.25 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 m 52.98 47.22 25.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.894 0.378 . . . . 0.0 110.914 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -113.67 116.74 29.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.42 -152.46 7.01 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.56 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.479 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.2 Cg_endo -69.86 147.59 62.57 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.662 2.242 . . . . 0.0 112.252 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -89.58 109.88 20.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -45.7 113.36 1.97 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.589 0.709 . . . . 0.0 111.1 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.464 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 54.4 Cg_endo -69.78 163.07 39.65 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.723 2.282 . . . . 0.0 112.325 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.6 m -79.13 153.65 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.6 p -93.08 158.8 15.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.401 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -37.86 -40.14 0.73 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -66.59 -58.73 4.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 19' ' ' LEU . 84.0 t -59.24 -57.98 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' VAL . 18.0 ttt85 -36.02 -55.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.533 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -58.72 -38.81 79.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 16' ' ' VAL . 15.4 mt -66.51 -28.37 68.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -81.03 -40.62 23.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -69.06 -48.5 62.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.475 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 25.4 mmt180 -63.38 -46.54 86.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 26' ' ' ILE . 19.9 ttp85 -35.98 -57.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' ARG . 7.0 tt0 -36.42 -52.99 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -50.56 -41.53 54.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.464 ' CG2' HG23 ' A' ' 38' ' ' ILE . 40.8 mm -67.09 -60.51 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' ILE . 11.8 mmm180 -35.04 -42.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 m -61.16 -50.92 71.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -68.87 -52.87 25.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -119.08 79.7 18.33 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.655 0.741 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.88 -0.84 7.6 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.309 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -99.75 -32.87 10.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.472 ' CD1' ' HE1' ' A' ' 41' ' ' MET . 8.9 mt -53.43 119.08 16.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.586 0.708 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.509 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 53.4 Cg_endo -69.79 163.61 37.65 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -41.95 -58.03 3.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.639 0.733 . . . . 0.0 110.882 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.0 Cg_endo -69.73 19.34 0.18 Allowed 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.774 2.316 . . . . 0.0 112.33 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.509 ' H ' ' C ' ' A' ' 35' ' ' PHE . 2.9 mm-40 -130.94 -18.71 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.464 HG23 ' CG2' ' A' ' 26' ' ' ILE . 93.8 mt -95.91 -33.23 4.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.5 m -72.67 -40.62 66.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 41' ' ' MET . 0.0 OUTLIER -54.85 -31.19 59.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.472 ' HE1' ' CD1' ' A' ' 33' ' ' LEU . 40.6 mtm -78.73 -53.29 7.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 43' ' ' GLY . 66.4 mt -51.64 -47.17 63.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -35.66 -55.84 1.03 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.07 -44.03 15.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -59.62 -43.83 93.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.459 ' CE3' HD12 ' A' ' 49' ' ' LEU . 65.4 t-105 -55.25 -40.6 71.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.5 t -77.47 -26.18 51.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -94.38 11.16 31.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.459 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.7 mt -70.92 178.72 3.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -93.78 160.58 32.35 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 1.72 4.15 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.378 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.5 -39.57 3.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -73.34 -53.88 9.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.41 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 24.2 tttt -51.5 -42.21 61.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.413 ' NE2' HD12 ' A' ' 58' ' ' LEU . 50.4 tp60 -69.45 -51.32 37.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.3 ttm-85 -49.8 -47.04 51.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -50.65 -44.75 57.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.413 HD12 ' NE2' ' A' ' 55' ' ' GLN . 33.3 mt -56.44 -55.14 37.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -57.71 -51.57 69.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -47.07 -48.6 22.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.401 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -63.3 -54.54 35.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 63' ' ' LYS . 13.4 mm-40 -40.04 -52.26 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 62' ' ' GLU . 38.0 mtmt -36.24 -49.08 0.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -58.77 -49.72 76.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -42.84 -33.1 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -67.54 -66.43 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -53.9 -34.31 59.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.479 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.6 OUTLIER -71.98 -38.65 69.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.483 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 4.8 mt -53.78 -61.26 2.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.5 ' HA ' ' CE2' ' A' ' 73' ' ' TRP . 4.7 pttm -56.37 -32.73 65.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 30.8 mt-10 -67.01 -6.95 19.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.454 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 28.1 tp -97.37 -48.64 5.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.5 ' CE2' ' HA ' ' A' ' 70' ' ' LYS . 5.8 p-90 -98.27 -54.56 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -43.25 -25.44 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.055 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -88.37 -50.28 6.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.908 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.412 ' HG2' ' CZ ' ' A' ' 81' ' ' TYR . 56.5 mt-30 -48.95 -35.93 16.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -52.18 -44.52 64.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.4 t -39.26 141.2 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 12.6 pt-20 -59.5 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.434 ' HA ' ' CG1' ' A' ' 83' ' ' VAL . . . -42.73 -38.06 1.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.083 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.412 ' CZ ' ' HG2' ' A' ' 76' ' ' GLN . 50.3 t80 -55.74 -49.32 73.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -72.82 -64.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.434 ' CG1' ' HA ' ' A' ' 80' ' ' ALA . 9.4 p -48.42 130.42 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.085 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 25.7 p -170.45 -178.96 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.468 ' O ' ' C ' ' A' ' 86' ' ' GLU . 12.2 t -43.61 145.75 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 85' ' ' THR . 1.4 pp20? 33.0 51.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 86' ' ' GLU . 50.9 m -35.01 149.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -83.19 141.84 20.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.455 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 97.72 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.665 2.244 . . . . 0.0 112.33 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.3 m -128.9 136.7 50.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.0 p -171.51 164.04 6.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.528 -179.955 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.2 p -168.48 129.86 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.861 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.7 m -72.26 153.93 41.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.817 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.02 -41.3 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.55 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -62.17 160.59 12.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.95 0.405 . . . . 0.0 110.829 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -88.29 -35.29 17.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.787 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.52 -171.78 27.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.568 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 52.7 Cg_endo -69.75 130.48 19.43 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.709 2.272 . . . . 0.0 112.309 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -61.99 102.79 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.23 110.37 1.64 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.563 0.697 . . . . 0.0 111.091 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 132.96 24.38 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.314 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.433 ' CG2' ' HG3' ' A' ' 17' ' ' ARG . 27.8 m -54.84 147.67 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.5 p -76.45 169.33 18.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.74 -36.29 85.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -62.24 -36.85 83.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.017 0.437 . . . . 0.0 110.952 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 19' ' ' LEU . 67.9 t -81.89 -48.72 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.166 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.433 ' HG3' ' CG2' ' A' ' 12' ' ' VAL . 44.0 mtt-85 -41.34 -31.66 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.6 OUTLIER -83.62 -36.21 24.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 16' ' ' VAL . 91.4 mt -69.95 -30.17 67.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -70.3 -60.63 2.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.9 -47.14 77.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.455 ' CB ' HD11 ' A' ' 42' ' ' LEU . 33.0 mmt180 -63.79 -47.74 79.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.922 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.467 ' CD ' HG22 ' A' ' 38' ' ' ILE . 1.5 tpt180 -45.04 -24.28 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -82.28 -51.26 8.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -47.42 -36.89 10.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 29' ' ' ARG . 14.0 mm -70.47 -57.86 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' ILE . 9.2 mmt85 -37.24 -39.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.5 m -65.0 -44.26 89.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' ILE . 50.4 mtt180 -77.81 -54.72 6.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -108.3 80.31 1.1 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.65 0.738 . . . . 0.0 110.834 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -1.79 9.04 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.91 -19.05 16.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.8 mt -73.21 120.58 81.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.638 0.732 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.483 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.1 Cg_endo -69.74 -162.86 0.1 OUTLIER 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.617 2.212 . . . . 0.0 112.334 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.629 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -73.68 -58.64 2.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.846 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.4 Cg_endo -69.75 19.6 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.319 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.517 ' H ' ' C ' ' A' ' 35' ' ' PHE . 19.9 mm-40 -124.64 -22.5 4.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.467 HG22 ' CD ' ' A' ' 23' ' ' ARG . 62.7 mt -93.02 -50.35 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.059 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 m -56.62 -28.2 59.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 41' ' ' MET . 0.0 OUTLIER -70.86 -36.77 72.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.46 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 33.7 mtm -70.03 -52.2 26.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.455 HD11 ' CB ' ' A' ' 22' ' ' ARG . 23.3 mt -53.48 -42.32 67.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.94 -56.17 3.22 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.456 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.69 -40.25 59.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.773 0.32 . . . . 0.0 111.092 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -61.96 -48.18 81.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.567 ' CE3' HD11 ' A' ' 49' ' ' LEU . 57.8 t-105 -48.42 -39.77 23.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.2 t -75.99 -21.73 56.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -94.66 -3.3 49.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.567 HD11 ' CE3' ' A' ' 46' ' ' TRP . 11.5 mt -57.78 158.51 6.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -74.8 157.29 85.92 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.572 0.701 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 1.29 4.52 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.7 2.266 . . . . 0.0 112.415 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.27 -31.99 6.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -84.19 -52.83 5.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.476 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 24.1 tttm -50.12 -41.27 48.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -67.21 -45.28 77.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.5 ttt-85 -52.43 -46.3 66.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -54.92 -33.8 62.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.1 mt -67.01 -56.03 11.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -59.53 -54.94 40.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -40.15 -52.82 2.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.28 -39.88 80.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.22 -58.79 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -41.48 -34.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -79.09 -45.29 20.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -46.55 -33.72 4.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -52.21 -47.98 65.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.406 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -58.75 -47.82 83.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.568 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -59.02 -42.45 90.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.854 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 70' ' ' LYS . 13.1 mt -53.37 -73.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.507 ' HA ' ' CE2' ' A' ' 73' ' ' TRP . 6.2 ptpt -35.02 -55.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 72' ' ' LEU . 35.3 mm-40 -51.42 -53.45 36.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.48 ' N ' ' HG3' ' A' ' 8' ' ' PRO . 6.7 tp -32.55 -64.95 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.507 ' CE2' ' HA ' ' A' ' 70' ' ' LYS . 7.8 p-90 -84.1 -55.24 4.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -33.77 -36.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' A' ' 73' ' ' TRP . 3.3 t80 -82.59 -52.82 6.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.469 ' HG2' ' CZ ' ' A' ' 81' ' ' TYR . 47.8 mt-30 -40.75 -40.6 1.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -49.94 -42.73 49.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -49.7 137.82 15.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -56.32 -41.14 75.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.45 -21.9 0.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.469 ' CZ ' ' HG2' ' A' ' 76' ' ' GLN . 41.9 t80 -70.73 -51.71 25.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.988 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -67.49 -56.38 9.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.464 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 4.6 p -52.22 120.98 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.084 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 21.5 p -174.79 178.22 1.9 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.5 t -145.35 146.32 31.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.07 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -69.3 159.7 32.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.963 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 81.1 p -144.75 171.74 13.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.46 -157.83 15.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.462 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -176.78 1.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.622 2.215 . . . . 0.0 112.377 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.1 p -62.79 151.08 39.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.5 t -54.28 103.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -120.74 160.5 23.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 p -80.93 110.29 16.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.88 75.67 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 p -142.57 132.61 24.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -174.94 145.24 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.44 173.63 49.24 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.565 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.4 Cg_endo -69.75 145.38 57.06 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.353 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -85.77 111.97 20.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.21 114.58 5.07 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.574 0.702 . . . . 0.0 111.074 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 172.51 12.5 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.0 m -93.21 168.43 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 14' ' ' GLY . 78.9 p -95.38 146.48 24.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -35.57 -37.44 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.552 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -64.15 -54.54 32.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.0 t -66.94 -46.73 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -41.74 -52.47 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.481 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 1.5 t80 -60.09 -40.91 91.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.6 mt -61.56 -41.56 97.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -67.3 -32.38 73.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -70.2 -48.65 56.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 24' ' ' GLU . 3.0 mmp_? -70.79 -35.58 72.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -38.85 -25.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 22' ' ' ARG . 6.0 tp10 -80.91 -53.99 5.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.412 ' OE1' ' NH1' ' A' ' 22' ' ' ARG . 6.0 pt20 -54.08 -37.43 64.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.464 ' CG2' HG21 ' A' ' 38' ' ' ILE . 40.8 mm -69.72 -39.83 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.9 mmm-85 -58.29 -54.45 46.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.8 m -46.42 -45.59 18.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 -72.24 -60.85 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -110.89 79.24 1.81 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.588 0.708 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -1.53 8.58 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.762 2.308 . . . . 0.0 112.383 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -100.37 -19.2 16.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.85 116.64 40.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.615 0.721 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.499 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 54.2 Cg_endo -69.7 163.97 36.21 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.751 2.301 . . . . 0.0 112.329 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.596 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -42.34 -58.0 3.98 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.6 0.714 . . . . 0.0 110.86 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.5 Cg_endo -69.76 19.35 0.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.697 2.264 . . . . 0.0 112.383 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' A' ' 35' ' ' PHE . 13.0 mm-40 -130.81 -24.44 2.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.464 HG21 ' CG2' ' A' ' 26' ' ' ILE . 96.4 mt -88.64 -38.51 11.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 m -66.73 -45.02 80.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 41' ' ' MET . 12.7 ptmt -51.91 -32.19 31.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.423 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 40.9 mtm -75.7 -42.86 49.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.8 mt -66.25 -42.03 89.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -47.76 -23.06 2.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.541 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.4 -36.61 29.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.72 0.295 . . . . 0.0 111.064 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -63.85 -41.17 97.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.557 ' CE3' HD13 ' A' ' 49' ' ' LEU . 71.5 t-105 -52.59 -42.77 64.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.9 t -73.38 -26.18 60.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.892 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -100.11 13.08 35.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.557 HD13 ' CE3' ' A' ' 46' ' ' TRP . 12.0 mt -72.94 159.84 33.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -74.73 157.34 85.98 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 0.0 110.949 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 0.65 5.34 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.297 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.88 -33.89 6.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -80.36 -53.77 6.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.543 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 15.2 tttt -52.13 -41.92 62.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -68.99 -49.0 61.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.983 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -54.12 -38.79 65.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -59.53 -36.1 75.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.9 mt -65.77 -59.98 3.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.98 -51.03 71.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -46.2 -56.5 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.24 -51.84 65.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.061 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -43.22 -53.52 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.793 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.403 ' HA ' ' CE ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -42.49 -40.41 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -66.16 -42.64 88.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.824 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -51.47 -52.68 44.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.805 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -45.78 -43.94 13.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.71 -54.09 50.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.565 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -53.74 -42.23 67.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.894 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 11.0 mt -54.07 -57.25 11.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 14.6 mptt -48.86 -59.3 3.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 72' ' ' LEU . 6.6 mm-40 -43.7 -57.73 3.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.482 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 8.8 tp -31.88 -74.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.503 ' CE2' ' HA ' ' A' ' 70' ' ' LYS . 12.7 p-90 -74.88 -55.59 5.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -33.19 -35.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.045 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 73' ' ' TRP . 2.6 t80 -85.22 -49.31 8.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -44.67 -30.39 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -71.53 -36.6 71.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 75' ' ' TYR . 23.2 t -40.0 134.19 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -55.71 -46.75 77.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -45.26 -33.11 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -71.02 -45.2 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -71.37 -54.71 9.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 84' ' ' CYS . 12.6 p -44.26 -44.04 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.051 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.411 ' N ' HG13 ' A' ' 83' ' ' VAL . 9.9 m -61.46 166.02 4.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.416 ' CG2' ' O ' ' A' ' 85' ' ' THR . 14.2 t -50.72 115.97 1.73 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -172.67 130.92 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.8 t -42.47 126.53 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -132.43 82.08 0.31 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -37.97 8.44 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.5 m -44.04 116.19 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.815 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.9 m -60.09 -61.5 2.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.541 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.235 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -129.82 153.23 48.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.834 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 t -163.79 110.74 1.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.79 63.77 0.18 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.439 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.1 p -138.94 156.77 46.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -79.95 162.95 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.34 -157.84 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.566 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.7 Cg_endo -69.71 158.74 55.99 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.71 2.273 . . . . 0.0 112.356 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' C ' ' CE2' ' A' ' 68' ' ' TYR . 16.9 ttpp -92.62 109.53 20.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.522 ' N ' ' CE2' ' A' ' 68' ' ' TYR . . . -57.27 109.65 1.89 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.584 0.707 . . . . 0.0 111.085 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -170.94 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.394 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.5 m -99.62 137.48 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 t -87.58 168.69 12.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.413 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -44.89 -20.67 0.24 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -78.55 -69.83 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.917 0.389 . . . . 0.0 110.935 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.9 t -57.77 -37.82 61.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.063 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.4 ttt-85 -53.94 -40.11 66.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -82.34 -27.13 32.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.902 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 65.1 mt -65.45 -44.38 87.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -68.07 -48.52 65.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -51.93 -50.22 61.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HB3' ' CD2' ' A' ' 42' ' ' LEU . 15.4 mmm180 -73.56 -42.65 61.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.472 ' CD ' HG21 ' A' ' 38' ' ' ILE . 7.1 tpt85 -40.66 -25.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 22' ' ' ARG . 7.8 tt0 -81.18 -55.32 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -46.42 -35.89 5.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.8 mm -69.53 -54.17 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.072 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -42.11 -36.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.0 m -66.82 -44.05 82.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.171 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -76.22 -54.39 6.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -109.0 80.98 1.41 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.561 0.696 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.85 -1.17 8.1 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.738 2.292 . . . . 0.0 112.288 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -100.08 -23.67 14.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mt -69.07 119.52 70.52 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.605 0.717 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.476 ' CG ' ' HG3' ' A' ' 37' ' ' GLU . 52.9 Cg_endo -69.8 -163.17 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.576 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.74 -58.63 2.68 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.588 0.708 . . . . 0.0 110.917 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.1 Cg_endo -69.78 19.6 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.65 2.233 . . . . 0.0 112.352 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.517 ' H ' ' C ' ' A' ' 35' ' ' PHE . 6.6 mm-40 -124.79 -22.73 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.472 HG21 ' CD ' ' A' ' 23' ' ' ARG . 56.9 mt -92.9 -50.59 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 m -55.23 -26.68 41.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 41' ' ' MET . 8.7 ptmt -72.57 -34.62 67.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.438 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 44.1 mtm -71.49 -51.32 24.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 45' ' ' GLU . 72.3 mt -51.2 -48.49 61.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -38.31 -43.18 1.42 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.441 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.17 -35.99 80.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.738 0.304 . . . . 0.0 111.083 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 42' ' ' LEU . 16.8 mt-10 -65.18 -44.12 89.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.565 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.6 t-105 -48.64 -38.93 22.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.6 t -77.41 -32.46 54.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -89.74 14.93 10.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.565 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.4 mt -74.47 165.47 25.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -81.59 158.03 69.06 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.537 0.684 . . . . 0.0 110.978 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 2.17 3.77 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.704 2.269 . . . . 0.0 112.304 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.51 -37.13 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -77.67 -54.4 6.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.495 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 21.9 tttt -53.55 -46.89 70.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -63.71 -37.31 86.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -67.05 -39.34 86.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -60.54 -44.71 95.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.7 mt -57.04 -49.4 75.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -62.16 -53.05 60.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -48.99 -55.08 13.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.793 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.413 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -60.81 -45.48 94.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' LYS . 14.2 mt-10 -45.7 -54.95 7.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -42.26 -34.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -90.95 -24.54 20.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 62' ' ' GLU . 45.0 tttp -70.75 -42.15 70.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.443 ' HA ' ' CD1' ' A' ' 69' ' ' LEU . 2.2 pt20 -67.51 -43.33 81.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -54.44 -47.37 72.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.566 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -70.4 -38.24 74.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.821 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.475 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 9.2 mt -50.37 -61.94 1.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.463 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 20.2 ptmt -53.38 -28.36 28.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -77.81 8.57 4.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.458 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 40.6 tp -114.56 -43.38 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.475 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 5.1 p-90 -102.38 -50.47 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -47.65 -21.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.056 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -93.37 -51.37 5.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -51.93 -42.93 63.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 74' ' ' ALA . 1.2 pp0? -58.61 -25.4 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.6 p -54.56 138.8 39.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -55.53 -41.76 73.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.53 -20.59 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -84.57 -43.16 14.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.97 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -71.84 -45.66 60.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.928 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 p -59.63 133.17 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.057 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 44.6 t -117.27 -73.23 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.5 p -128.33 165.39 20.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.092 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -58.84 124.09 18.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 56.5 p -130.76 177.13 7.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.63 166.12 14.2 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.448 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -176.98 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.338 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.2 m -127.93 145.12 51.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.799 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.2 t -83.14 110.8 18.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.408 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.243 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 m -93.33 -44.02 8.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 110.803 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 t -72.54 122.17 20.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.79 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.37 169.07 0.13 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.46 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -175.03 163.99 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -118.06 129.51 55.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.27 -152.87 20.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.545 ' HG2' ' CE2' ' A' ' 68' ' ' TYR . 53.3 Cg_endo -69.76 135.63 30.93 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.655 2.236 . . . . 0.0 112.346 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -67.5 95.45 0.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . . . -50.62 122.28 15.88 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 0.0 111.118 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 161.35 46.25 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.737 2.291 . . . . 0.0 112.366 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.3 m -78.16 132.33 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 16' ' ' VAL . 38.4 p -57.95 138.39 55.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -36.53 -32.43 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.537 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.426 ' N ' ' O ' ' A' ' 13' ' ' THR . 6.6 t80 -69.49 -43.2 73.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' THR . 74.9 t -73.5 -50.53 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 -39.16 -46.59 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -64.32 -41.78 96.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 23' ' ' ARG . 65.7 mt -58.89 -49.93 75.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -60.23 -54.28 47.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -55.1 -45.46 75.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.441 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 31.0 mmt-85 -75.43 -26.02 57.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 19' ' ' LEU . 16.6 ttm-85 -48.94 -59.7 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -39.77 -58.43 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -48.56 -36.22 15.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.465 ' CG2' HG21 ' A' ' 38' ' ' ILE . 43.4 mm -76.16 -40.98 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -61.03 -41.87 97.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.0 m -59.26 -43.2 92.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.9 mtt85 -73.4 -52.61 13.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -119.71 81.48 25.36 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.545 0.688 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.79 -0.72 7.34 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.623 2.215 . . . . 0.0 112.274 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -100.45 -29.9 12.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.7 mt -53.67 117.07 11.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.629 0.728 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.501 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 54.5 Cg_endo -69.71 163.41 38.34 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.38 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.605 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -41.94 -57.97 3.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.622 0.725 . . . . 0.0 110.903 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.8 Cg_endo -69.72 19.27 0.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.739 2.293 . . . . 0.0 112.376 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.5 ' H ' ' C ' ' A' ' 35' ' ' PHE . 3.7 mm-40 -130.85 -20.34 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.465 HG21 ' CG2' ' A' ' 26' ' ' ILE . 96.9 mt -92.67 -32.37 4.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.6 m -73.46 -40.09 64.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -58.72 -28.1 65.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.8 mtm -80.02 -50.11 10.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.8 mt -65.39 -29.97 70.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.04 -50.96 61.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.32 -32.81 39.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.777 0.322 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -67.36 -43.94 80.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.529 ' CE3' HD13 ' A' ' 49' ' ' LEU . 71.7 t-105 -56.75 -40.72 76.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.5 t -72.48 -22.45 61.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.827 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -102.8 19.84 18.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.529 HD13 ' CE3' ' A' ' 46' ' ' TRP . 11.7 mt -79.11 160.43 27.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -78.76 159.39 74.06 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.568 0.699 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 2.03 3.94 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.313 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.29 -36.61 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -78.33 -54.37 6.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.509 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 6.9 tttp -48.74 -42.88 36.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.961 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -66.07 -46.34 78.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.7 ttm105 -53.23 -44.2 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -57.76 -45.8 85.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.9 mt -57.36 -41.13 79.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -68.66 -47.08 67.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -48.59 -48.3 39.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.35 -46.95 63.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.056 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -48.31 -56.63 7.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -43.32 -46.7 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -60.5 -42.36 96.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 66' ' ' GLN . 31.7 tptt -47.1 -53.42 12.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 65' ' ' LYS . 13.8 mm-40 -36.23 -51.95 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -55.84 -59.27 5.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.545 ' CE2' ' HG2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -50.41 -55.11 17.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.877 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.588 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 24.3 mt -45.64 -58.0 3.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 2.1 mmmm -48.19 -60.97 2.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' A' ' 72' ' ' LEU . 13.0 mm-40 -45.91 -56.86 4.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.483 ' C ' ' O ' ' A' ' 71' ' ' GLU . 5.2 tp -31.3 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 11.9 p-90 -72.47 -53.87 10.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -36.93 -29.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.051 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 73' ' ' TRP . 1.6 t80 -87.99 -47.35 8.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -48.64 -19.49 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 78' ' ' SER . 23.2 mt-30 -85.14 -40.22 16.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 77' ' ' GLN . 59.8 p -35.85 125.7 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 82' ' ' LYS . 9.1 pt-20 -47.16 -49.99 21.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -40.3 -31.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.065 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -67.63 -43.88 79.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 79' ' ' GLU . 15.6 mtpp -72.65 -58.62 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.3 p -47.46 -35.32 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 21.5 m -79.51 146.02 32.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.4 m 62.84 36.84 12.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.18 166.82 15.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.2 t -120.36 162.76 18.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.428 ' N ' ' HD2' ' A' ' 89' ' ' PRO . . . -40.9 -61.65 1.9 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 53.9 Cg_endo -69.83 105.39 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.634 2.223 . . . . 0.0 112.313 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.1 m -111.57 144.47 40.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.6 m -120.17 167.8 11.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.826 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.521 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -98.98 -61.56 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.898 0.38 . . . . 0.0 110.886 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t 61.8 43.53 9.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.21 76.53 1.0 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 t -67.8 -51.75 45.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.92 0.39 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 m -128.67 153.73 47.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.61 -172.82 0.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.527 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.479 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.81 151.29 68.72 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.576 2.184 . . . . 0.0 112.388 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -93.67 109.75 21.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.39 110.51 1.03 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.537 0.684 . . . . 0.0 111.093 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.483 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.8 167.59 24.05 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.367 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.5 m -82.28 127.66 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 14' ' ' GLY . 6.5 t -82.14 162.47 22.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.467 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -34.84 -37.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.548 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -63.61 -60.98 2.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.371 . . . . 0.0 110.918 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.31 -52.18 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.1 ttt-85 -38.94 -44.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -73.74 -45.48 51.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 mt -52.01 -40.5 61.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -67.27 -64.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -41.67 -43.43 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.424 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 41.8 mmt-85 -78.62 -38.16 40.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -43.32 -39.51 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -63.77 -39.74 95.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -62.99 -35.79 81.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.4 mm -71.78 -37.54 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -68.51 -42.0 79.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 m -59.77 -37.05 77.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -82.2 -48.84 10.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -122.15 80.94 44.04 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.606 0.717 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -0.68 7.34 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -100.28 -26.21 13.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 mt -57.25 118.68 26.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.651 0.738 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.491 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 54.3 Cg_endo -69.72 163.62 37.54 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.72 2.28 . . . . 0.0 112.316 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.566 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -42.09 -57.95 3.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.607 0.718 . . . . 0.0 110.807 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.3 Cg_endo -69.87 19.34 0.19 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.508 ' H ' ' C ' ' A' ' 35' ' ' PHE . 11.1 mm-40 -130.57 -20.32 2.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 99.3 mt -93.14 -36.0 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.9 m -71.57 -37.98 71.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -32.95 70.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.8 mtm -77.42 -32.65 54.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 45' ' ' GLU . 72.6 mt -77.21 -61.08 2.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -38.91 -40.38 1.07 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.466 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.84 -38.75 92.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.672 0.272 . . . . 0.0 111.084 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' LEU . 31.0 mm-40 -63.84 -44.64 92.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.542 ' CE3' HD13 ' A' ' 49' ' ' LEU . 60.8 t-105 -44.96 -40.93 6.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.7 t -74.1 -28.89 61.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.823 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -89.25 16.47 7.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.542 HD13 ' CE3' ' A' ' 46' ' ' TRP . 12.0 mt -77.94 160.84 27.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.977 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -78.65 159.05 75.04 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.555 0.693 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 2.04 3.92 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.691 2.26 . . . . 0.0 112.308 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.65 -37.6 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -76.61 -55.15 5.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.479 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 6.0 tttp -48.6 -47.16 40.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -61.79 -49.47 76.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -50.51 -56.42 11.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -44.74 -57.37 3.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 28.5 mt -48.31 -39.65 22.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -78.64 -25.95 45.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -73.79 -19.98 60.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.467 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -102.07 -45.06 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -46.55 -31.87 3.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -69.76 -41.83 74.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -70.02 -30.95 68.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.441 ' HG2' ' CD2' ' A' ' 69' ' ' LEU . 5.0 ttpm? -55.86 -45.11 78.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -54.46 -35.81 63.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.8 -17.39 63.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.483 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 1.3 t80 -92.55 -31.54 15.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.512 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 3.4 mm? -59.7 -57.07 14.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.422 ' HA ' ' CE2' ' A' ' 73' ' ' TRP . 14.3 ptpt -54.21 -42.06 69.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.91 -10.39 5.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.47 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 14.5 tp -91.36 -51.07 5.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.512 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 6.3 p-90 -98.09 -51.64 3.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 70' ' ' LYS . . . -46.84 -21.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -97.93 -46.67 5.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -53.66 -47.08 70.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -95.08 74.45 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.5 t -156.52 150.62 25.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -49.33 -42.18 40.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.34 -44.36 79.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -45.74 -45.63 14.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.487 ' O ' ' C ' ' A' ' 83' ' ' VAL . 68.3 mttt -82.02 -56.49 3.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.487 ' C ' ' O ' ' A' ' 82' ' ' LYS . 5.6 p 29.22 43.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' LYS . 29.4 m -151.12 176.51 11.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' CYS . 79.4 m -37.46 120.75 0.81 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -159.89 128.49 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.7 p -61.64 -55.63 28.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.54 157.96 24.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 173.43 11.02 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.6 p -47.31 128.89 12.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.6 m -56.24 -53.97 50.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.476 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.55 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.842 0.268 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.3 ttmm -73.59 99.09 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.558 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -45.11 116.03 2.75 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.566 0.698 . . . . 0.0 111.148 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.453 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 53.7 Cg_endo -69.76 152.02 69.2 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.232 . . . . 0.0 112.385 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.2 m -68.9 135.03 29.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.065 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.7 p -58.98 175.88 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.01 -32.53 82.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.5 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 7.5 t80 -71.0 -38.26 72.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.9 0.381 . . . . 0.0 110.962 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.521 ' HA ' HD12 ' A' ' 19' ' ' LEU . 57.4 t -80.89 -36.45 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.446 ' HE ' ' HB2' ' A' ' 61' ' ' ALA . 14.9 ttm-85 -43.93 -49.61 8.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.535 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 0.6 OUTLIER -67.31 -34.13 76.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 16' ' ' VAL . 12.0 mt -70.5 -29.6 66.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.404 HD21 ' HA ' ' A' ' 20' ' ' ASN . 1.6 m120 -60.58 -60.23 4.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -60.86 -50.49 73.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.535 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 12.5 mmp_? -54.04 -44.84 71.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.422 ' HD2' ' C ' ' A' ' 23' ' ' ARG . 5.1 tmm_? -38.62 -41.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -66.12 -51.12 60.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -42.92 -47.95 5.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.928 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.601 HG21 HG23 ' A' ' 38' ' ' ILE . 37.4 mm -64.77 -58.89 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 26' ' ' ILE . 19.7 mmt180 -35.84 -43.53 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.8 m -61.85 -43.2 99.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 26' ' ' ILE . 44.5 mtt180 -77.29 -56.46 4.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -108.12 77.05 0.65 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.583 0.706 . . . . 0.0 110.823 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -1.59 8.79 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.628 2.219 . . . . 0.0 112.407 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -101.5 -27.9 12.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 37' ' ' GLU . 9.7 mt -63.48 125.34 87.13 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.592 0.71 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.49 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.7 Cg_endo -69.82 -163.35 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.722 2.282 . . . . 0.0 112.368 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.56 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.24 -58.82 2.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 110.829 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.9 Cg_endo -69.74 19.47 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.311 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.614 ' HB3' HD22 ' A' ' 33' ' ' LEU . 5.7 mm-40 -125.91 -25.42 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.601 HG23 HG21 ' A' ' 26' ' ' ILE . 70.5 mt -88.81 -44.71 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.0 m -62.53 -39.27 93.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -58.26 -27.94 64.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.1 mtm -79.86 -48.35 13.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.461 HD21 ' CG1' ' A' ' 26' ' ' ILE . 74.2 mt -57.18 -49.08 77.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -35.83 -53.65 1.14 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.47 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.88 -41.97 46.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.707 0.289 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 42' ' ' LEU . 11.6 mm-40 -59.44 -49.48 77.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.636 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.9 t-105 -45.08 -36.8 3.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 t -78.27 -29.7 48.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.806 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 45' ' ' GLU . 50.3 mtmt -93.77 15.1 17.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.636 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.4 mt -72.72 169.13 17.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -88.8 159.28 46.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.548 0.689 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 0.34 5.79 Favored 'Trans proline' 0 C--N 1.34 0.113 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -109.53 -37.53 5.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -78.29 -53.13 7.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.588 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 16.2 tttt -53.47 -46.04 69.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.563 ' HA ' HD12 ' A' ' 58' ' ' LEU . 1.1 tm0? -63.75 -45.37 90.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -59.83 -55.84 29.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -41.57 -48.92 4.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 55' ' ' GLN . 6.1 mt -59.56 -36.55 76.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.93 -41.66 64.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -56.32 -29.59 61.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.446 ' HB2' ' HE ' ' A' ' 17' ' ' ARG . . . -87.16 12.02 12.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.066 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -99.48 -60.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.422 ' HB2' ' HZ3' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -55.04 -50.4 69.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.935 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -57.85 -50.0 74.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' GLN . 23.9 ttpt -40.89 -57.81 1.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 65' ' ' LYS . 81.4 mt-30 -36.97 -51.63 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.434 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 10.5 tt0 -48.56 -50.79 30.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.558 ' CE2' ' HA ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -63.07 -46.55 86.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.801 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.3 mt -45.82 -58.35 3.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 67' ' ' GLN . 15.7 ptpt -57.82 -30.6 65.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.13 4.92 9.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.477 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 27.5 tp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HG3' ' CA ' ' A' ' 72' ' ' LEU . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.15 0 CA-C-O 120.869 0.279 . . . . 0.0 112.347 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -83.68 111.27 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.561 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -58.83 128.6 84.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.589 0.709 . . . . 0.0 111.111 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 159.96 51.47 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.745 2.296 . . . . 0.0 112.324 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.4 m -76.89 142.77 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 14' ' ' GLY . 16.1 p -70.0 143.22 52.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -35.24 -36.79 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -61.24 -59.73 4.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.955 0.407 . . . . 0.0 110.936 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.4 t -62.04 -42.12 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.177 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.1 ttt-85 -45.82 -44.63 14.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.557 ' CE2' ' HG3' ' A' ' 22' ' ' ARG . 1.7 t80 -70.11 -42.63 72.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.468 HD22 HG23 ' A' ' 39' ' ' THR . 26.2 mt -51.61 -51.99 51.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -66.56 -48.31 70.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -49.13 -46.21 44.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.557 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 10.1 mmm180 -82.23 -32.62 29.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -39.53 -43.77 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -66.05 -46.09 79.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -50.97 -39.75 56.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.761 HG21 HG23 ' A' ' 38' ' ' ILE . 38.3 mm -69.77 -59.67 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 26' ' ' ILE . 13.5 mmm180 -36.4 -33.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 26' ' ' ILE . 86.0 m -68.3 -45.65 72.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 26' ' ' ILE . 32.6 mtt180 -80.43 -51.69 8.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -107.12 72.98 0.34 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.507 0.67 . . . . 0.0 110.785 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.421 ' CD ' ' O ' ' A' ' 29' ' ' ARG . 53.7 Cg_endo -69.86 -2.82 10.89 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.622 2.215 . . . . 0.0 112.359 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.28 -26.88 13.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.609 HD22 ' HB3' ' A' ' 37' ' ' GLU . 9.8 mt -65.7 125.55 89.99 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 110.888 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.488 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.0 Cg_endo -69.79 -163.26 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.333 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.525 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -72.13 -58.93 2.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.622 0.725 . . . . 0.0 110.854 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.6 Cg_endo -69.69 19.5 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.73 2.286 . . . . 0.0 112.339 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.609 ' HB3' HD22 ' A' ' 33' ' ' LEU . 20.2 mm-40 -126.05 -26.45 3.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.761 HG23 HG21 ' A' ' 26' ' ' ILE . 71.5 mt -87.05 -42.55 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.468 HG23 HD22 ' A' ' 19' ' ' LEU . 38.5 m -60.88 -48.92 79.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 41' ' ' MET . 18.2 pttm -46.93 -34.87 5.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.451 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 56.1 mtm -73.02 -50.33 23.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.47 -50.37 73.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.32 -48.45 5.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.533 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.6 -34.8 73.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.741 0.305 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.22 -35.8 76.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.603 ' CE3' HD12 ' A' ' 49' ' ' LEU . 56.6 t-105 -56.15 -42.75 77.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 t -73.26 -23.1 60.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.794 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -96.84 9.27 42.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.603 HD12 ' CE3' ' A' ' 46' ' ' TRP . 11.7 mt -70.91 159.07 35.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -76.56 157.16 82.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.731 . . . . 0.0 110.86 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 2.76 3.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.55 -36.01 5.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.118 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -80.7 -53.13 6.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.594 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 18.8 tttt -52.9 -41.31 64.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -68.85 -31.23 70.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 -70.89 -39.83 72.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -58.8 -48.6 80.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 26.3 mt -52.02 -54.91 24.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -55.1 -52.23 63.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -39.73 -55.65 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.05 -39.18 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -62.24 -57.5 11.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -44.63 -33.33 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -70.76 -37.52 73.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.054 0.454 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 67' ' ' GLN . 9.1 ttmt -62.87 -53.27 56.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' LYS . 1.1 mp0 -34.26 -34.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' LYS . 4.1 tt0 -86.1 -43.94 12.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.561 ' CE2' ' HA ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -60.61 -15.47 28.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 69' ' ' LEU . 15.2 mt -70.35 -60.38 2.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -26.88 14.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -80.79 11.37 3.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.43 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 30.7 tp . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.568 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.217 0 CA-C-O 120.777 0.24 . . . . 0.0 112.401 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -78.55 91.8 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.533 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . . . -42.13 120.61 2.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 111.064 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 166.88 26.22 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.632 2.221 . . . . 0.0 112.323 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 m -82.51 143.5 11.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 14' ' ' GLY . 60.5 p -71.54 141.39 50.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -34.2 -37.64 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.499 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -64.65 -49.01 72.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.956 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.491 ' HA ' HD12 ' A' ' 19' ' ' LEU . 95.5 t -70.14 -45.66 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.204 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -41.12 -61.35 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -52.37 -47.4 66.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 16' ' ' VAL . 88.7 mt -53.67 -43.72 69.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -67.57 -56.25 10.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.798 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -46.92 -41.56 16.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -82.16 -34.47 29.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -39.81 -48.61 2.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -62.69 -40.1 96.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -57.33 -40.35 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.641 HG21 HG23 ' A' ' 38' ' ' ILE . 41.2 mm -67.58 -61.3 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 26' ' ' ILE . 27.5 mmt180 -34.13 -47.03 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.0 m -56.51 -44.96 81.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.047 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 26' ' ' ILE . 2.9 mtt-85 -77.11 -55.02 5.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -109.26 75.16 0.69 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.563 0.697 . . . . 0.0 110.834 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 -1.9 9.33 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.703 2.269 . . . . 0.0 112.332 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.63 -27.8 13.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.6 HD22 ' HB3' ' A' ' 37' ' ' GLU . 10.4 mt -63.21 126.24 88.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.494 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.2 Cg_endo -69.7 -163.21 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.565 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.38 -58.79 2.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.609 0.719 . . . . 0.0 110.851 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.3 Cg_endo -69.78 19.53 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.302 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.6 ' HB3' HD22 ' A' ' 33' ' ' LEU . 41.0 mm-40 -126.16 -25.17 3.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.641 HG23 HG21 ' A' ' 26' ' ' ILE . 74.5 mt -88.96 -43.25 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.9 m -64.6 -38.51 91.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -57.48 -35.8 70.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.2 mtm -73.25 -40.13 64.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.408 HD13 ' O ' ' A' ' 19' ' ' LEU . 42.5 mt -66.18 -41.97 89.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.9 -48.97 36.75 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.16 -41.64 75.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.77 0.319 . . . . 0.0 111.081 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -60.63 -40.18 90.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.567 ' CE3' HD12 ' A' ' 49' ' ' LEU . 63.1 t-105 -56.94 -37.65 71.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.4 t -77.34 -26.16 51.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -94.9 6.83 47.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.567 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.4 mt -67.26 171.14 6.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.402 ' CD ' ' HD2' ' A' ' 51' ' ' PRO . 7.1 mm100 -89.74 160.19 41.84 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.613 0.72 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.402 ' HD2' ' CD ' ' A' ' 50' ' ' GLN . 54.0 Cg_endo -69.75 0.91 4.95 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.73 -35.81 5.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -80.0 -53.39 6.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.524 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 23.3 tttt -52.23 -42.96 64.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -68.43 -46.97 68.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -53.43 -35.48 60.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -64.54 -45.52 86.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 26.0 mt -56.32 -54.82 40.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -55.8 -58.03 9.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -42.71 -45.27 4.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.94 -45.43 74.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.032 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -46.82 -61.31 1.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -45.39 -53.67 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -48.02 -46.35 32.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -42.69 -57.0 2.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.406 ' HB3' ' NZ ' ' A' ' 70' ' ' LYS . 14.6 mt-30 -39.31 -62.6 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' GLN . 5.8 tt0 -37.54 -35.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.568 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -82.92 -44.19 15.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.2 mt -51.22 -56.62 11.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.406 ' NZ ' ' HB3' ' A' ' 66' ' ' GLN . 50.4 mttp -49.77 -62.64 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.465 ' O ' ' C ' ' A' ' 72' ' ' LEU . 21.5 mm-40 -42.16 -57.46 2.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.48 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 14.1 tp . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.563 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 55.0 Cg_endo . . . . . 0 C--O 1.232 0.188 0 CA-C-O 120.856 0.273 . . . . 0.0 112.401 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -83.15 100.31 10.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -41.09 105.43 0.38 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 111.092 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.406 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.78 130.91 20.14 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.398 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.4 m -48.93 138.45 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.1 t -83.39 163.09 20.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -40.76 -38.65 1.64 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.459 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.507 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 18.7 t80 -57.86 -64.81 0.78 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.946 0.403 . . . . 0.0 110.845 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.488 ' HA ' HD12 ' A' ' 19' ' ' LEU . 49.2 t -61.66 -52.92 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.202 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' VAL . 17.2 ttt85 -38.04 -48.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -70.63 -38.06 73.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.507 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 6.8 mt -59.5 -41.96 91.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.439 HD21 HG12 ' A' ' 16' ' ' VAL . 10.7 m-20 -66.33 -63.21 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -45.42 -44.89 12.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 25' ' ' GLN . 11.2 mmm180 -73.32 -41.54 63.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.413 ' HD2' ' C ' ' A' ' 23' ' ' ARG . 5.4 tmm_? -37.59 -47.11 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.84 -39.61 89.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 22' ' ' ARG . 16.4 mm-40 -61.33 -31.59 71.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.745 HG21 HG23 ' A' ' 38' ' ' ILE . 36.7 mm -78.98 -38.99 21.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.477 ' HD3' ' CD1' ' A' ' 38' ' ' ILE . 2.7 mmm180 -65.08 -35.85 82.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.4 m -65.59 -36.46 83.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.21 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -81.81 -46.05 14.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -123.56 79.73 54.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.594 0.712 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -1.39 8.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.35 -20.45 15.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.622 HD22 ' HB3' ' A' ' 37' ' ' GLU . 8.5 mt -65.81 125.22 89.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.501 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.2 Cg_endo -69.79 -163.15 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.678 2.252 . . . . 0.0 112.323 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.553 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.53 -58.84 2.74 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.716 0.769 . . . . 0.0 110.899 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.2 Cg_endo -69.78 19.55 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.705 2.27 . . . . 0.0 112.379 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.622 ' HB3' HD22 ' A' ' 33' ' ' LEU . 5.1 mm-40 -125.98 -23.12 4.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.745 HG23 HG21 ' A' ' 26' ' ' ILE . 93.6 mt -92.14 -43.24 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.5 m -66.21 -39.63 89.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.212 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -56.64 -31.27 64.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.7 mtm -77.84 -42.89 32.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.791 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.487 HD21 ' CG1' ' A' ' 26' ' ' ILE . 44.1 mt -67.02 -54.72 18.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -36.81 -38.67 0.32 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.15 -42.02 60.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' LEU . 31.6 mm-40 -55.87 -42.74 76.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.541 ' CH2' ' HG2' ' A' ' 54' ' ' LYS . 34.6 t-105 -58.81 -41.11 85.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -74.9 -19.1 60.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -97.38 -8.36 29.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.954 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.515 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.8 mt -51.87 168.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -82.27 158.35 66.78 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.516 0.674 . . . . 0.0 110.977 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 3.24 2.91 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.654 2.236 . . . . 0.0 112.348 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -115.03 -34.35 5.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -81.34 -51.59 8.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.541 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 17.3 tttt -52.66 -40.69 63.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.952 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -67.97 -48.14 66.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -52.17 -50.99 60.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -47.66 -43.6 26.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.6 mt -56.63 -56.2 24.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.936 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -55.69 -50.94 68.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -42.11 -53.65 3.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.19 -48.88 66.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.076 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -40.7 -53.02 2.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -38.75 -40.11 0.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -74.64 -56.73 4.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.017 0.437 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -40.92 -30.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -62.37 -68.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -57.11 -31.11 64.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.563 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.4 OUTLIER -63.44 -47.72 80.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.965 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.3 mt -43.28 -61.4 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -50.49 -47.41 57.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 8' ' ' PRO . 23.0 mm-40 -53.04 -21.39 4.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.471 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 16.9 tp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.557 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.835 0.265 . . . . 0.0 112.375 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.405 ' C ' ' CE2' ' A' ' 68' ' ' TYR . 3.5 tppt? -97.24 111.47 23.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.13 115.75 14.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.629 0.728 . . . . 0.0 111.097 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -163.78 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 2.28 . . . . 0.0 112.399 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 m -119.81 145.63 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.986 0.422 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -63.97 165.16 9.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.556 ' HA2' ' HB2' ' A' ' 61' ' ' ALA . . . -54.74 -33.5 55.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.444 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.492 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 7.0 t80 -64.02 -61.9 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.972 0.415 . . . . 0.0 110.903 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.72 HG12 ' OD1' ' A' ' 20' ' ' ASN . 38.9 t -60.25 -41.09 85.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.7 ttt-85 -44.9 -43.17 8.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.506 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -71.11 -30.5 66.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.985 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.492 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 82.1 mt -77.52 -17.04 58.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.72 ' OD1' HG12 ' A' ' 16' ' ' VAL . 35.2 m120 -79.91 -53.81 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -61.25 -47.91 83.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.543 ' HB2' HD13 ' A' ' 42' ' ' LEU . 2.7 mmp_? -62.07 -43.51 98.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.931 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' ARG . 1.2 tmt_? -37.32 -43.34 0.54 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -65.48 -48.22 73.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -52.78 -45.73 67.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.662 ' CG1' HD21 ' A' ' 42' ' ' LEU . 42.8 mm -62.91 -61.23 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' ILE . 15.6 mmm180 -35.04 -48.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.8 m -55.37 -43.59 75.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 26' ' ' ILE . 30.8 mtt85 -77.85 -56.23 4.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -108.01 75.45 0.54 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.647 0.737 . . . . 0.0 110.83 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.68 -2.17 9.65 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.69 2.26 . . . . 0.0 112.329 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -100.87 -23.34 14.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.594 HD22 ' HB3' ' A' ' 37' ' ' GLU . 8.3 mt -68.55 125.25 91.54 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.535 0.683 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.494 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.2 Cg_endo -69.75 -163.19 0.1 Allowed 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.594 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.34 -58.88 2.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.691 0.757 . . . . 0.0 110.897 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.8 Cg_endo -69.75 19.44 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.387 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.594 ' HB3' HD22 ' A' ' 33' ' ' LEU . 9.1 mm-40 -126.05 -25.45 3.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.598 HG23 HG21 ' A' ' 26' ' ' ILE . 94.4 mt -87.51 -43.13 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.224 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.0 m -62.42 -41.77 98.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 41' ' ' MET . 7.7 ptmm? -57.5 -33.89 68.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.451 ' HE1' HD12 ' A' ' 33' ' ' LEU . 39.1 mtm -72.26 -49.64 33.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.662 HD21 ' CG1' ' A' ' 26' ' ' ILE . 34.8 mt -64.88 -35.15 80.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.64 -42.9 45.65 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.53 -36.82 85.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.795 0.331 . . . . 0.0 111.162 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -62.2 -41.14 98.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.571 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.3 t-105 -49.83 -36.98 28.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -81.86 -23.71 36.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -95.19 9.77 38.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.571 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.6 mt -71.19 175.47 5.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -91.16 159.24 40.03 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.542 0.687 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 2.19 3.74 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.302 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.09 -35.42 5.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -81.12 -53.43 6.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.44 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 23.1 tttm -50.48 -43.8 55.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.704 ' OE1' HD12 ' A' ' 58' ' ' LEU . 3.0 tp-100 -65.31 -55.76 16.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -45.48 -45.92 13.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -52.97 -44.98 67.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.704 HD12 ' OE1' ' A' ' 55' ' ' GLN . 45.5 mt -56.51 -57.81 10.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 62' ' ' GLU . 38.6 t70 -57.8 -53.0 63.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.795 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -45.04 -39.73 5.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.556 ' HB2' ' HA2' ' A' ' 14' ' ' GLY . . . -74.64 -27.67 60.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 59' ' ' ASP . 80.4 mt-10 -72.78 -36.89 67.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -74.49 -34.51 63.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -76.15 -18.81 58.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.488 ' CG ' ' CD2' ' A' ' 69' ' ' LEU . 6.4 ttmt -75.88 -60.54 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.433 ' HA ' HD23 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -49.34 -31.12 8.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -65.35 -30.87 71.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.557 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -89.67 -33.97 16.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.83 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.488 ' CD2' ' CG ' ' A' ' 65' ' ' LYS . 1.4 mm? -49.25 -56.54 9.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -58.95 -31.4 68.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -67.98 -3.39 9.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.482 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 57.5 tp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.576 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.824 0.26 . . . . 0.0 112.368 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.66 114.32 15.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.08 110.55 2.76 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.625 0.726 . . . . 0.0 111.106 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 143.5 50.92 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG2' ' HG3' ' A' ' 17' ' ' ARG . 8.1 m -61.52 152.74 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 t -85.31 153.23 22.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.58 -19.22 0.76 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.429 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 8.6 t80 -78.42 -34.4 48.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 0.0 110.921 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 19' ' ' LEU . 18.7 t -77.02 -51.76 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.472 ' HG3' ' CG2' ' A' ' 12' ' ' VAL . 2.1 mtt-85 -38.03 -36.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 27.2 t80 -75.71 -39.71 56.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 16' ' ' VAL . 85.6 mt -61.32 -39.65 91.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -64.06 -74.74 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -41.03 -48.43 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 24.3 mmt180 -62.73 -52.14 64.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 22' ' ' ARG . 2.6 tmm_? -36.43 -30.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 22' ' ' ARG . 11.6 tt0 -71.44 -47.72 54.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 22' ' ' ARG . 45.0 mm-40 -55.71 -40.45 72.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.713 HG21 HG23 ' A' ' 38' ' ' ILE . 36.7 mm -68.23 -58.8 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' ILE . 20.3 mmt180 -36.47 -42.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.83 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.3 m -59.69 -47.4 85.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' ILE . 21.5 mtt180 -75.73 -53.98 7.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 47.0 m80 -107.19 75.06 0.42 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.541 0.686 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 29' ' ' ARG . 53.8 Cg_endo -69.7 -2.38 10.04 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.749 2.299 . . . . 0.0 112.305 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -102.02 -31.67 10.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.611 HD22 ' HB3' ' A' ' 37' ' ' GLU . 9.1 mt -59.68 125.33 79.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.489 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.2 Cg_endo -69.75 -163.16 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.525 ' N ' ' HD2' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -72.29 -58.82 2.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.659 0.742 . . . . 0.0 110.87 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.4 Cg_endo -69.76 19.53 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.716 2.278 . . . . 0.0 112.343 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.611 ' HB3' HD22 ' A' ' 33' ' ' LEU . 20.3 mm-40 -126.09 -25.54 3.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.713 HG23 HG21 ' A' ' 26' ' ' ILE . 81.4 mt -87.87 -40.68 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.06 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.422 HG23 HD22 ' A' ' 19' ' ' LEU . 50.1 m -63.82 -45.3 90.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -51.24 -33.95 30.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 53.7 mtm -73.74 -47.54 38.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.445 HD13 ' HB2' ' A' ' 22' ' ' ARG . 47.2 mt -59.2 -41.43 88.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -44.41 -38.09 5.06 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.92 -37.05 85.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.722 0.296 . . . . 0.0 111.083 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -66.02 -38.44 88.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.684 ' CE3' HD12 ' A' ' 49' ' ' LEU . 69.5 t-105 -55.63 -33.13 63.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.8 t -81.1 -20.2 41.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -100.07 11.86 38.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.961 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.684 HD12 ' CE3' ' A' ' 46' ' ' TRP . 11.1 mt -72.92 156.2 39.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -75.16 159.6 82.15 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.561 0.696 . . . . 0.0 110.96 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 1.68 4.22 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.381 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.29 -39.54 4.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -75.04 -55.18 6.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.519 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 6.9 tttp -48.65 -41.8 32.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -70.31 -45.9 65.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -52.67 -42.53 64.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -59.09 -42.74 91.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 33.9 mt -59.53 -55.61 32.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -55.63 -48.36 75.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -45.46 -57.69 3.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.414 ' HB2' ' HD2' ' A' ' 17' ' ' ARG . . . -62.0 -41.84 98.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 65' ' ' LYS . 35.6 mt-10 -53.64 -52.85 58.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -46.81 -32.16 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -84.44 -24.03 29.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.824 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' GLU . 68.4 tttt -64.97 -42.31 94.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -47.42 -53.26 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -52.58 -65.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.576 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -44.84 -50.53 10.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.401 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 12.3 mt -46.62 -62.51 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -48.53 -59.22 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.485 ' O ' ' C ' ' A' ' 72' ' ' LEU . 13.3 mt-10 -40.93 -59.77 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.495 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 16.0 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.478 ' HB3' ' CB ' ' A' ' 71' ' ' GLU . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.827 0.261 . . . . 0.0 112.329 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -76.83 95.56 4.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.491 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -47.54 105.93 0.54 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.596 0.712 . . . . 0.0 111.082 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 174.22 9.85 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.712 2.275 . . . . 0.0 112.322 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.8 m -105.72 159.55 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.174 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 14' ' ' GLY . 23.2 p -84.49 148.76 26.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.501 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -35.75 -40.9 0.36 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.442 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.578 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 21.6 t80 -60.95 -58.1 9.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.934 0.397 . . . . 0.0 110.932 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.817 ' HA ' HD12 ' A' ' 19' ' ' LEU . 85.8 t -63.3 -52.55 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 16' ' ' VAL . 30.6 ttt85 -37.09 -59.37 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.559 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -57.32 -39.46 75.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 16' ' ' VAL . 25.2 mt -62.47 -31.38 72.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -68.22 -60.39 2.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -51.87 -44.2 63.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.559 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 12.6 mmt180 -68.26 -45.89 71.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.411 ' HD2' ' C ' ' A' ' 23' ' ' ARG . 2.0 tmm_? -37.51 -35.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -70.21 -48.48 56.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' ARG . 24.0 mm-40 -52.17 -41.28 62.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.576 HG21 HG23 ' A' ' 38' ' ' ILE . 33.4 mm -67.63 -60.96 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' ILE . 16.8 mmt180 -35.74 -48.88 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.4 m -55.13 -43.83 74.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 26' ' ' ILE . 79.2 mtt180 -76.88 -57.42 3.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -107.53 76.94 0.55 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 29' ' ' ARG . 54.3 Cg_endo -69.7 -2.32 9.93 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.745 2.296 . . . . 0.0 112.334 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -100.89 -21.01 15.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.569 HD22 ' HB3' ' A' ' 37' ' ' GLU . 7.8 mt -70.59 123.8 89.75 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.6 0.714 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.482 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.9 Cg_endo -69.74 -163.05 0.1 OUTLIER 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.58 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.61 -58.91 2.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 110.826 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.1 Cg_endo -69.76 19.37 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.687 2.258 . . . . 0.0 112.352 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.569 ' HB3' HD22 ' A' ' 33' ' ' LEU . 22.9 mm-40 -125.57 -25.48 3.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.576 HG23 HG21 ' A' ' 26' ' ' ILE . 87.1 mt -87.58 -43.77 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.6 m -61.64 -46.66 88.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 41' ' ' MET . 18.7 pttp -51.13 -35.4 35.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.467 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 45.0 mtm -71.9 -44.93 62.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 45' ' ' GLU . 86.5 mt -61.7 -50.03 74.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -35.55 -41.93 0.42 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.68 96.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.754 0.311 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 42' ' ' LEU . 16.4 mm-40 -61.75 -46.95 87.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.556 ' CE3' HD12 ' A' ' 49' ' ' LEU . 58.9 t-105 -51.05 -39.89 56.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.4 t -75.31 -25.06 57.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -95.99 6.91 47.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.556 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.6 mt -69.02 161.53 28.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -75.44 158.32 83.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.663 0.744 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 1.93 3.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.308 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.1 -39.45 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -76.01 -53.96 7.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 34.3 tttt -53.33 -47.73 69.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -62.23 -47.86 82.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -55.8 -45.41 78.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -52.2 -40.32 61.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.25 -45.15 94.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -69.88 -30.72 68.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -63.55 -31.53 72.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.501 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -88.2 -51.26 5.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.507 ' CG ' ' N ' ' A' ' 63' ' ' LYS . 7.7 pt-20 -46.52 -49.13 19.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.507 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 50.3 mtmt -58.24 -48.21 81.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -55.74 -47.04 77.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.587 ' HE3' HD21 ' A' ' 69' ' ' LEU . 16.6 tttp -60.07 -51.3 70.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -38.47 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 65' ' ' LYS . 4.9 tt0 -88.55 -53.65 4.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.59 ' HD1' HD22 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -43.67 -26.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.59 HD22 ' HD1' ' A' ' 68' ' ' TYR . 4.0 mm? -67.65 -54.01 23.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -66.47 -4.41 8.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.478 ' CB ' ' HB3' ' A' ' 8' ' ' PRO . 20.3 mt-10 -104.11 2.63 32.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.434 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 52.7 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.567 ' HG2' ' CE2' ' A' ' 68' ' ' TYR . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.891 0.288 . . . . 0.0 112.322 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.67 101.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.55 127.66 4.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.564 0.697 . . . . 0.0 111.15 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -176.03 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.312 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.575 HG21 ' HB3' ' A' ' 17' ' ' ARG . 22.5 m -109.16 169.59 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 16' ' ' VAL . 75.3 p -105.87 145.93 30.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.13 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -36.48 -33.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 13' ' ' THR . 24.7 t80 -72.22 -42.65 65.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.349 . . . . 0.0 110.892 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.712 ' HA ' HD12 ' A' ' 19' ' ' LEU . 59.9 t -68.44 -68.73 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.963 ' HD2' ' HB2' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -41.38 -27.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.435 ' CE2' ' HG3' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -78.53 -38.4 40.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' A' ' 16' ' ' VAL . 7.4 mt -54.39 -47.17 73.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -67.58 -59.38 3.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -39.48 -45.44 1.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.435 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 36.8 mmt180 -83.74 -33.06 25.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.407 ' HD2' ' C ' ' A' ' 23' ' ' ARG . 5.2 tmm_? -41.54 -39.65 1.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -68.05 -42.05 81.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -55.71 -39.74 71.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.654 HG21 HG23 ' A' ' 38' ' ' ILE . 32.7 mm -68.76 -58.73 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' ILE . 17.6 mmm180 -36.92 -46.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.3 m -57.12 -41.99 80.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' ILE . 12.0 mtt-85 -80.08 -57.9 3.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.802 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -107.18 74.99 0.42 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.582 0.706 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 29' ' ' ARG . 54.5 Cg_endo -69.85 -1.94 9.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.662 2.241 . . . . 0.0 112.396 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -101.71 -25.53 13.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 37' ' ' GLU . 9.4 mt -64.86 126.24 90.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.487 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.5 Cg_endo -69.8 -163.23 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.316 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.592 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.19 -58.89 2.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 110.818 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.9 Cg_endo -69.76 19.48 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.577 ' HB3' HD22 ' A' ' 33' ' ' LEU . 17.5 mm-40 -126.03 -24.72 3.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.654 HG23 HG21 ' A' ' 26' ' ' ILE . 87.2 mt -88.76 -40.92 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.408 HG23 HD22 ' A' ' 19' ' ' LEU . 15.3 m -66.1 -46.34 77.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 41' ' ' MET . 10.2 pttm -51.15 -27.98 9.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.846 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.412 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 38.9 mtm -78.64 -48.15 15.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 45' ' ' GLU . 73.6 mt -56.92 -45.36 82.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.08 -47.48 2.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.34 -33.16 75.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' LEU . 6.5 mm-40 -63.68 -51.08 66.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.7 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.1 t-105 -47.18 -35.67 7.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.3 t -78.57 -25.53 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.97 0.414 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -96.95 10.51 38.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.7 HD12 ' CE3' ' A' ' 46' ' ' TRP . 11.4 mt -68.29 161.62 26.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -82.14 160.52 62.7 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 0.0 110.976 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.84 3.18 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.52 -38.55 4.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -75.94 -52.5 10.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.572 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 22.3 tttt -51.83 -47.8 64.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -59.89 -41.07 90.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.4 ttt85 -61.29 -50.88 71.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -52.37 -39.21 60.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.2 mt -65.91 -64.58 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.977 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -56.19 -22.97 32.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -65.62 -42.04 91.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.963 ' HB2' ' HD2' ' A' ' 17' ' ' ARG . . . -76.89 -41.72 42.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 65' ' ' LYS . 64.9 mt-10 -43.4 -53.85 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -42.74 -45.4 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -68.23 -31.01 70.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' GLU . 17.5 tttp -59.47 -51.18 70.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -44.78 -36.3 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -69.34 -67.93 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.567 ' CE2' ' HG2' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -41.4 -44.46 2.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 mt -49.25 -58.19 5.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 71' ' ' GLU . 53.4 mttp -49.94 -68.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 72' ' ' LEU . 21.6 mm-40 -35.25 -59.14 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.492 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 29.2 tp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.563 ' HG2' ' CE2' ' A' ' 68' ' ' TYR . 53.2 Cg_endo . . . . . 0 N--CA 1.465 -0.166 0 CA-C-O 120.859 0.275 . . . . 0.0 112.371 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -60.53 98.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -37.99 134.24 0.86 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.558 0.694 . . . . 0.0 111.061 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.441 ' HD3' ' CG ' ' A' ' 68' ' ' TYR . 54.2 Cg_endo -69.7 -169.32 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 m -139.21 163.06 26.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.169 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.467 ' OG1' HG23 ' A' ' 16' ' ' VAL . 29.1 p -78.75 154.88 29.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.183 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.91 -14.67 5.69 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.645 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 22.7 t80 -92.34 -20.02 21.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.938 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 19' ' ' LEU . 54.2 t -87.3 -58.79 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.08 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.822 ' HD2' ' HB2' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -40.4 -34.29 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.963 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.517 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -78.76 -37.2 41.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.812 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.645 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 11.5 mt -58.95 -50.01 75.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -68.04 -56.46 8.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -47.99 -42.6 28.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.758 ' HB3' HD22 ' A' ' 42' ' ' LEU . 32.2 mmt180 -79.49 -31.46 42.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.535 ' HA ' HD11 ' A' ' 42' ' ' LEU . 3.3 tmm_? -53.65 -26.0 20.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -76.06 -46.05 31.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -54.28 -38.87 66.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.548 HG21 HG23 ' A' ' 38' ' ' ILE . 21.7 mm -69.07 -59.54 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 26' ' ' ILE . 19.6 mmt180 -36.04 -45.7 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 60.9 m -58.35 -42.27 86.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 26' ' ' ILE . 65.0 mtt180 -80.02 -57.16 3.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -108.06 74.86 0.51 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -1.27 8.19 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.365 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.97 -34.64 10.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.823 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 37' ' ' GLU . 12.6 mt -55.68 120.97 36.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.558 0.694 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.484 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.1 Cg_endo -69.8 163.16 39.34 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.707 2.271 . . . . 0.0 112.372 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.539 ' N ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -41.78 -57.93 3.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.656 0.741 . . . . 0.0 110.921 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.4 Cg_endo -69.74 19.5 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.589 2.193 . . . . 0.0 112.424 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.524 ' HB3' HD22 ' A' ' 33' ' ' LEU . 3.2 mm-40 -130.78 -26.84 2.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.548 HG23 HG21 ' A' ' 26' ' ' ILE . 96.7 mt -85.0 -36.31 11.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 m -68.46 -47.1 68.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -46.85 -27.91 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 27.8 mtm -81.15 -49.05 11.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.758 HD22 ' HB3' ' A' ' 22' ' ' ARG . 83.3 mt -55.43 -47.87 75.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -45.25 -49.08 10.54 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.546 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.405 ' HB1' ' HE2' ' A' ' 48' ' ' LYS . . . -57.32 -40.01 77.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 111.1 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -61.5 -42.13 98.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.664 ' CE3' HD12 ' A' ' 49' ' ' LEU . 66.8 t-105 -55.59 -36.4 66.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 t -76.87 -27.83 55.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HE2' ' HB1' ' A' ' 44' ' ' ALA . 27.2 mtmt -97.28 10.36 39.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.664 HD12 ' CE3' ' A' ' 46' ' ' TRP . 11.6 mt -66.62 169.12 8.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -85.36 159.55 55.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.546 0.688 . . . . 0.0 110.939 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -0.75 7.46 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.702 2.268 . . . . 0.0 112.32 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.53 -36.13 5.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -77.93 -52.55 8.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.502 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 20.5 tttt -52.35 -39.07 60.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -73.27 -44.77 58.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.403 ' NH2' ' CE1' ' A' ' 57' ' ' TYR . 35.7 ttp85 -54.59 -33.4 60.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.403 ' CE1' ' NH2' ' A' ' 56' ' ' ARG . 16.0 m-85 -67.49 -40.18 85.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 38.9 mt -61.06 -57.43 12.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -57.8 -55.01 40.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -43.08 -49.69 6.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.822 ' HB2' ' HD2' ' A' ' 17' ' ' ARG . . . -62.21 -39.86 94.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -58.72 -54.08 51.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -43.39 66.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -57.63 -38.47 75.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -51.75 -50.19 61.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -45.34 -50.96 11.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -50.12 -62.91 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.563 ' CE2' ' HG2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -45.0 -55.37 5.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.518 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 14.4 mt -44.51 -57.3 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -48.4 -61.44 2.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.484 ' O ' ' C ' ' A' ' 72' ' ' LEU . 22.0 mm-40 -44.87 -57.48 3.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 71' ' ' GLU . 27.8 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.525 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.23 0.124 0 CA-C-O 120.927 0.303 . . . . 0.0 112.329 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -83.05 103.56 12.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.548 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -54.26 110.35 2.06 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.624 0.726 . . . . 0.0 111.108 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.55 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.77 161.02 47.56 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.3 m -64.82 157.7 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.071 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 14' ' ' GLY . 82.4 p -92.54 153.96 18.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -34.5 -40.65 0.19 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.443 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.684 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 17.1 t80 -63.11 -67.13 0.45 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.925 0.393 . . . . 0.0 110.89 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.482 ' HA ' HD12 ' A' ' 19' ' ' LEU . 75.0 t -54.03 -49.18 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.097 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' VAL . 22.1 ttm-85 -34.86 -59.61 0.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -58.75 -43.07 90.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.684 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 85.4 mt -57.31 -41.31 79.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -68.24 -55.87 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -50.54 -46.64 57.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 25' ' ' GLN . 7.7 mmm180 -73.06 -42.02 63.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 22' ' ' ARG . 2.3 tmm_? -34.18 -54.31 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -51.9 -46.08 64.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' ARG . 14.5 mm-40 -53.05 -44.61 67.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 29' ' ' ARG . 34.4 mm -62.5 -61.86 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 26' ' ' ILE . 37.5 mmm-85 -34.39 -48.52 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.9 m -55.73 -44.43 77.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.2 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 26' ' ' ILE . 25.5 mtp180 -78.02 -57.68 3.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -107.23 74.68 0.41 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 121.663 0.744 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 29' ' ' ARG . 53.0 Cg_endo -69.81 -1.76 9.06 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -100.19 -24.16 14.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.584 HD22 ' HB3' ' A' ' 37' ' ' GLU . 9.0 mt -67.67 124.66 89.85 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.493 ' CG ' ' HG3' ' A' ' 37' ' ' GLU . 54.0 Cg_endo -69.71 -163.12 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.373 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.527 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.36 -58.71 2.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 0.0 110.865 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.2 Cg_endo -69.9 19.66 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.689 2.259 . . . . 0.0 112.313 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.584 ' HB3' HD22 ' A' ' 33' ' ' LEU . 8.2 mm-40 -126.49 -27.08 3.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.479 HG23 HG21 ' A' ' 26' ' ' ILE . 96.3 mt -84.61 -42.39 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.6 m -63.85 -45.61 88.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 41' ' ' MET . 10.8 ptmt -53.99 -30.69 48.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.422 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 31.1 mtm -74.87 -44.98 46.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.36 -45.62 90.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.37 -52.57 5.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.493 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.48 -39.43 48.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -66.95 -45.75 76.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.835 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.454 ' CE3' HD12 ' A' ' 49' ' ' LEU . 71.6 t-105 -54.97 -33.49 62.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 t -81.93 -24.71 35.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -99.79 18.64 17.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.454 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.1 mt -78.11 167.08 21.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -84.36 160.05 57.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.548 0.69 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 2.25 3.67 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.726 2.284 . . . . 0.0 112.352 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.53 -38.53 4.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -76.31 -54.64 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -50.98 -45.15 60.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -65.24 -43.87 89.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -54.73 -48.3 72.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -54.35 -44.27 72.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.007 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.5 mt -58.56 -52.59 65.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -58.21 -49.18 77.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -48.28 -50.14 31.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.73 -32.43 70.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -61.78 -56.0 24.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -53.81 -60.69 2.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 65' ' ' LYS . 74.9 mm-40 -48.54 -49.64 35.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' GLU . 26.4 tttp -33.78 -60.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.523 ' HA ' HD13 ' A' ' 69' ' ' LEU . 10.1 mm100 -37.66 -56.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.508 ' CD ' ' C ' ' A' ' 67' ' ' GLN . 5.6 tm0? -39.5 -41.25 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.55 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 0.2 OUTLIER -79.41 -34.95 41.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' A' ' 66' ' ' GLN . 4.7 mp -53.25 -51.47 62.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -55.5 -34.98 65.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -72.28 -2.83 20.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.475 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 46.4 tp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.563 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.745 0.227 . . . . 0.0 112.404 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -65.67 109.85 2.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.04 115.13 8.3 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.588 0.708 . . . . 0.0 111.08 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 142.25 47.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.645 2.23 . . . . 0.0 112.313 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.0 m -57.79 130.76 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.1 t -72.73 159.72 33.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -42.6 -37.14 2.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.614 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 17.0 t80 -61.34 -63.0 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.939 0.399 . . . . 0.0 110.932 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 19' ' ' LEU . 72.9 t -60.97 -51.93 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.102 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' VAL . 18.7 ttt180 -38.02 -45.28 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -70.89 -36.09 72.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.614 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 77.9 mt -69.35 -29.5 67.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.983 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -73.89 -39.73 63.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -72.39 -50.95 22.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.615 ' HB2' HD13 ' A' ' 42' ' ' LEU . 25.5 mmt-85 -62.0 -45.56 93.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.776 ' HD2' HG21 ' A' ' 38' ' ' ILE . 3.2 tpt180 -39.76 -30.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -76.78 -40.25 48.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 22' ' ' ARG . 6.1 mm100 -57.6 -37.75 73.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' ARG . 28.3 mm -70.05 -60.64 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.59 ' HG2' HD13 ' A' ' 38' ' ' ILE . 12.2 mmt180 -34.39 -43.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.9 m -57.9 -48.63 79.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' ILE . 5.5 mtt-85 -76.35 -52.89 9.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.765 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -107.51 76.48 0.53 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 29' ' ' ARG . 53.8 Cg_endo -69.73 -1.38 8.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -100.58 -22.6 14.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.567 HD22 ' HB3' ' A' ' 37' ' ' GLU . 8.7 mt -69.36 124.97 91.6 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.673 0.749 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.503 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.0 Cg_endo -69.74 -163.08 0.1 OUTLIER 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.687 2.258 . . . . 0.0 112.387 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.622 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.75 -58.7 2.64 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.61 0.719 . . . . 0.0 110.869 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.4 Cg_endo -69.85 19.33 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.567 ' HB3' HD22 ' A' ' 33' ' ' LEU . 25.3 mm-40 -125.68 -23.66 3.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.776 HG21 ' HD2' ' A' ' 23' ' ' ARG . 90.6 mt -90.89 -45.99 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.201 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.3 m -62.69 -41.21 98.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.196 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 41' ' ' MET . 12.9 ptmm? -55.38 -41.57 72.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.43 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 29.8 mtm -65.92 -42.24 90.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.615 HD13 ' HB2' ' A' ' 22' ' ' ARG . 30.5 mt -62.02 -38.68 89.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.34 -40.62 30.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.43 -31.52 72.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.298 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -70.75 -43.6 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.736 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.5 t-105 -46.84 -41.94 16.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.8 t -73.93 -24.34 59.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -89.15 -12.44 41.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.948 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.736 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.0 mt -49.32 162.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -79.3 159.32 72.84 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.593 0.711 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.04 3.88 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.361 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.82 -35.34 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -78.49 -50.46 11.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.513 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 23.6 tttt -54.35 -38.55 66.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -71.48 -47.85 52.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -53.62 -47.81 69.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -48.5 -42.29 32.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.6 mt -59.17 -58.5 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -53.23 -47.45 68.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -45.57 -50.5 13.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.53 -44.55 86.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -47.02 -58.66 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.422 ' HA ' ' NZ ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -39.95 -55.24 2.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.59 -44.28 96.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -40.36 -43.23 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -50.96 -48.44 60.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -53.16 -38.3 62.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.563 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -73.53 -41.54 62.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.824 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.2 mt -54.15 -68.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 22.8 pttt -39.01 -54.17 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.487 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 6.8 mm-40 -51.46 -54.05 30.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.479 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 4.9 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.452 ' HG3' ' CA ' ' A' ' 72' ' ' LEU . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.882 0.284 . . . . 0.0 112.358 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -81.85 113.09 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.488 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -53.36 120.73 22.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.537 0.684 . . . . 0.0 111.169 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -167.87 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.243 . . . . 0.0 112.38 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.3 m -113.5 155.78 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' GLY . 69.2 p -91.77 149.52 21.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -37.5 -37.36 0.33 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.433 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.505 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 23.6 t80 -66.1 -50.66 63.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.935 0.398 . . . . 0.0 110.989 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' ARG . 16.4 t -69.85 -57.8 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.162 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' VAL . 30.6 ttt-85 -36.01 -48.36 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.805 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.53 -42.69 74.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.818 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.505 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 19.3 mt -54.82 -42.95 72.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -64.11 -60.9 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -40.31 -50.71 2.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.58 ' HB3' HD22 ' A' ' 42' ' ' LEU . 18.7 mmm180 -71.01 -45.83 63.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.564 ' HA ' HD11 ' A' ' 42' ' ' LEU . 2.7 tmm_? -37.03 -47.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -57.95 -48.97 78.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -51.95 -40.18 60.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.428 HG21 HG23 ' A' ' 38' ' ' ILE . 40.7 mm -68.41 -54.8 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.216 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -42.78 -37.64 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.808 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.8 m -66.62 -45.29 79.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -71.79 -55.27 7.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -117.86 81.35 15.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.599 0.714 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 -1.08 7.87 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.743 2.295 . . . . 0.0 112.282 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -99.34 -31.31 11.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.469 HD22 ' HB3' ' A' ' 37' ' ' GLU . 10.9 mt -53.15 118.48 14.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.661 0.743 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.494 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.7 Cg_endo -69.76 163.32 38.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.74 2.294 . . . . 0.0 112.306 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.528 ' N ' ' HD2' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -41.82 -58.03 3.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.636 0.731 . . . . 0.0 110.876 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.3 Cg_endo -69.73 19.48 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.382 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.494 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 11.0 mm-40 -130.8 -26.2 2.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.428 HG23 HG21 ' A' ' 26' ' ' ILE . 96.4 mt -84.87 -32.91 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.7 m -72.69 -45.58 58.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -49.9 -27.51 5.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 28.2 mtm -82.63 -43.95 16.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.58 HD22 ' HB3' ' A' ' 22' ' ' ARG . 87.4 mt -63.39 -45.96 88.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.68 -50.05 7.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.505 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.89 -39.34 58.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 111.049 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.33 -44.0 96.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.599 ' CE3' HD12 ' A' ' 49' ' ' LEU . 70.7 t-105 -56.06 -35.32 66.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.3 t -77.74 -32.08 52.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.817 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -94.17 20.9 7.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.599 HD12 ' CE3' ' A' ' 46' ' ' TRP . 10.7 mt -80.12 152.97 29.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.938 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -68.41 154.8 93.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.621 0.724 . . . . 0.0 110.952 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 4.04 2.41 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.22 -33.8 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -81.14 -54.06 5.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.494 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 6.8 tttp -48.55 -29.03 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -84.85 -47.59 10.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.416 ' C ' ' HD2' ' A' ' 56' ' ' ARG . 0.9 OUTLIER -54.97 -32.04 61.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -65.96 -46.72 77.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.1 mt -54.81 -49.4 71.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 62' ' ' GLU . 40.3 t0 -59.17 -59.4 5.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 59' ' ' ASP . 6.1 mm-40 -35.9 -47.82 0.54 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.98 -44.0 90.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' ASP . 27.0 mt-10 -51.47 -57.17 9.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -39.26 -50.74 1.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.09 -47.49 85.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -43.38 -52.15 6.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -54.65 -32.67 59.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -75.89 -46.57 29.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.488 ' CE2' ' HA ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -66.67 -20.91 66.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.2 mt -71.3 -54.98 8.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -60.79 -23.55 65.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 8' ' ' PRO . 22.4 mm-40 -82.39 0.85 40.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.452 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 20.6 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.509 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.843 0.268 . . . . 0.0 112.326 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.3 tptp -95.83 111.76 23.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.491 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -50.34 112.64 2.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.631 0.729 . . . . 0.0 111.056 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.507 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 54.0 Cg_endo -69.8 135.1 29.51 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.5 m -46.49 149.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 14' ' ' GLY . 58.6 p -88.76 146.92 24.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.077 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.449 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -35.4 -34.88 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.497 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 23.8 t80 -71.0 -48.28 54.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.982 0.42 . . . . 0.0 110.964 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.5 HG12 ' OD1' ' A' ' 20' ' ' ASN . 87.3 t -68.67 -51.63 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.149 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.9 ttt85 -40.3 -52.28 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.439 ' CE2' ' HG3' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -61.39 -36.36 80.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.497 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 84.6 mt -67.1 -42.97 83.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.5 ' OD1' HG12 ' A' ' 16' ' ' VAL . 7.2 m120 -64.47 -53.05 54.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -55.87 -51.04 68.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.439 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 4.5 mmp_? -64.28 -44.36 91.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' ARG . 5.9 tmm_? -35.78 -54.21 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -45.76 -54.13 8.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.426 ' HG3' ' NH2' ' A' ' 22' ' ' ARG . 29.1 mm100 -47.28 -42.26 20.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.677 HG21 HG23 ' A' ' 38' ' ' ILE . 38.1 mm -67.01 -54.75 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -42.33 -35.9 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.811 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 98.5 m -67.51 -36.99 82.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' ILE . 10.8 mtp85 -80.99 -55.53 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.852 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -120.48 80.5 30.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.512 0.672 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -0.58 7.13 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.262 . . . . 0.0 112.352 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -101.16 -15.94 17.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 33' ' ' LEU . 8.7 mt -69.67 119.04 68.5 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.584 0.707 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.494 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.6 Cg_endo -69.74 163.98 36.23 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.638 2.225 . . . . 0.0 112.376 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.612 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -42.19 -58.08 3.8 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.846 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.1 Cg_endo -69.68 19.28 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.494 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 3.5 mm-40 -130.71 -22.1 2.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.677 HG23 HG21 ' A' ' 26' ' ' ILE . 87.9 mt -92.27 -37.41 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.17 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 m -68.8 -43.72 75.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.2 pttp -53.07 -29.69 31.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 40.7 mtm -78.08 -45.92 22.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.428 HD21 ' CG1' ' A' ' 26' ' ' ILE . 39.3 mt -63.84 -46.58 84.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.7 -48.07 6.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.513 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.46 -33.41 63.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.694 0.283 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -72.27 -40.36 67.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.632 ' CE3' HD12 ' A' ' 49' ' ' LEU . 57.9 t-105 -53.79 -37.61 63.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.9 t -75.23 -27.28 59.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -97.29 12.0 34.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.632 HD12 ' CE3' ' A' ' 46' ' ' TRP . 10.9 mt -70.86 153.79 42.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -67.95 154.67 93.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.658 0.742 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 3.31 2.81 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.699 2.266 . . . . 0.0 112.383 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.98 -33.72 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -80.11 -53.72 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.575 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 14.7 tttt -50.98 -40.76 58.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -70.91 -42.24 70.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -60.96 -33.85 73.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -64.83 -44.12 90.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 38.9 mt -56.3 -50.9 70.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -60.66 -51.67 68.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -41.38 -46.18 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.449 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -75.69 -41.75 52.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -52.97 -55.26 24.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -40.46 -43.22 1.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -75.52 -41.11 56.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -48.57 -45.07 37.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -61.26 -36.26 79.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -72.27 -47.44 50.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.509 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -61.1 -40.94 95.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.1 mt -51.26 -60.02 3.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.966 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.3 pttt -56.13 -27.83 55.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -79.1 7.14 7.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.478 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 44.0 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.564 ' HB2' ' CD1' ' A' ' 68' ' ' TYR . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.82 0.258 . . . . 0.0 112.356 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -87.19 112.35 21.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.479 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . . . -47.4 110.79 1.42 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.622 0.725 . . . . 0.0 111.103 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.598 ' HD3' ' CD1' ' A' ' 68' ' ' TYR . 53.4 Cg_endo -69.81 169.03 19.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.735 2.29 . . . . 0.0 112.299 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.1 m -93.1 131.49 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.1 t -74.87 159.0 32.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -38.87 -36.04 0.43 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.54 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -63.7 -61.79 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.41 . . . . 0.0 110.897 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 19' ' ' LEU . 94.3 t -62.29 -54.43 34.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' VAL . 13.1 ttt-85 -34.96 -55.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.545 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -64.18 -37.46 87.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.809 -179.874 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' VAL . 10.2 mt -62.26 -37.4 85.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -67.51 -57.34 6.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -51.94 -51.09 59.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.635 ' HB3' HD22 ' A' ' 42' ' ' LEU . 20.2 mmt180 -64.57 -48.36 75.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.603 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -36.31 -57.68 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -49.15 -48.25 45.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -52.97 -36.38 60.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.617 HG21 HG23 ' A' ' 38' ' ' ILE . 44.2 mm -71.09 -53.7 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.2 mmm-85 -42.12 -39.73 2.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.7 m -63.52 -44.36 94.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.169 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -72.51 -54.51 9.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -120.71 81.47 33.19 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.644 0.735 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -0.63 7.26 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -100.05 -26.71 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.448 HD22 ' HB3' ' A' ' 37' ' ' GLU . 8.9 mt -58.5 118.42 28.01 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.577 0.703 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.498 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.3 Cg_endo -69.72 163.99 36.17 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -42.2 -58.1 3.78 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.683 0.754 . . . . 0.0 110.91 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.3 Cg_endo -69.74 19.48 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.703 2.269 . . . . 0.0 112.343 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.498 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 5.5 mm-40 -130.98 -23.74 2.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.617 HG23 HG21 ' A' ' 26' ' ' ILE . 94.7 mt -89.98 -34.15 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.0 m -72.7 -42.77 63.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -54.28 -28.61 43.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.873 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.2 mtm -79.19 -47.77 15.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.635 HD22 ' HB3' ' A' ' 22' ' ' ARG . 88.2 mt -59.88 -49.23 78.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.57 -59.32 1.97 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.527 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.91 -43.24 18.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.712 0.292 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -60.31 -40.46 90.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.595 ' CE3' HD12 ' A' ' 49' ' ' LEU . 52.8 t-105 -59.04 -45.7 90.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.3 m -70.81 -20.87 62.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -99.57 10.13 41.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.595 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.0 mt -68.26 168.58 12.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -87.06 159.86 50.41 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 2.6 3.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.769 2.312 . . . . 0.0 112.362 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.89 -38.02 4.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -76.26 -53.54 8.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.537 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 21.5 tttt -50.67 -42.15 56.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -67.86 -40.58 83.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 17.5 ttm-85 -59.21 -28.42 66.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -81.52 -42.4 20.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.2 mt -63.65 -30.4 71.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -88.28 -33.17 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 16.5 mm-40 -65.32 -19.72 66.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.96 -42.84 6.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -54.31 -28.79 44.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -75.22 -30.88 60.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -81.6 -25.56 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -71.35 -33.57 69.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -61.17 -39.88 91.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -74.5 -38.44 62.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.598 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 1.9 t80 -62.06 -41.46 98.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.5 mt -55.5 -55.59 30.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -53.39 -41.81 66.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.431 ' CB ' ' HB3' ' A' ' 8' ' ' PRO . 56.5 mm-40 -60.2 -13.32 11.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.455 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 21.5 tp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.495 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.2 Cg_endo . . . . . 0 C--O 1.23 0.113 0 CA-C-O 120.945 0.31 . . . . 0.0 112.252 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -89.58 109.88 20.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.437 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -45.7 113.36 1.97 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.589 0.709 . . . . 0.0 111.1 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.496 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 54.4 Cg_endo -69.78 163.07 39.65 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.723 2.282 . . . . 0.0 112.325 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.6 m -79.13 153.65 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.6 p -93.08 158.8 15.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.401 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -37.86 -40.14 0.73 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.691 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 17.9 t80 -66.59 -58.73 4.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.855 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.625 ' HA ' HD12 ' A' ' 19' ' ' LEU . 84.0 t -59.24 -57.98 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' VAL . 18.0 ttt85 -36.02 -55.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.533 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -58.72 -38.81 79.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.691 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 15.4 mt -66.51 -28.37 68.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -81.03 -40.62 23.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -69.06 -48.5 62.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.741 ' HB3' HD22 ' A' ' 42' ' ' LEU . 25.4 mmt180 -63.38 -46.54 86.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.597 ' HA ' HD11 ' A' ' 42' ' ' LEU . 19.9 ttp85 -35.98 -57.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' ARG . 7.0 tt0 -36.42 -52.99 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -50.56 -41.53 54.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.627 HG21 HG23 ' A' ' 38' ' ' ILE . 40.8 mm -67.09 -60.51 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' ILE . 11.8 mmm180 -35.04 -42.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 m -61.16 -50.92 71.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -68.87 -52.87 25.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -119.08 79.7 18.33 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.655 0.741 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.88 -0.84 7.6 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.309 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -99.75 -32.87 10.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 37' ' ' GLU . 8.9 mt -53.43 119.08 16.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.586 0.708 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.502 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.4 Cg_endo -69.79 163.61 37.65 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.538 ' N ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -41.95 -58.03 3.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.639 0.733 . . . . 0.0 110.882 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.0 Cg_endo -69.73 19.34 0.18 Allowed 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.774 2.316 . . . . 0.0 112.33 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.502 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 2.9 mm-40 -130.94 -18.71 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.627 HG23 HG21 ' A' ' 26' ' ' ILE . 93.8 mt -95.91 -33.23 4.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.5 m -72.67 -40.62 66.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 41' ' ' MET . 0.0 OUTLIER -54.85 -31.19 59.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.433 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 40.6 mtm -78.73 -53.29 7.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.741 HD22 ' HB3' ' A' ' 22' ' ' ARG . 66.4 mt -51.64 -47.17 63.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -35.66 -55.84 1.03 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.07 -44.03 15.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -59.62 -43.83 93.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.477 ' CE3' HD12 ' A' ' 49' ' ' LEU . 65.4 t-105 -55.25 -40.6 71.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.5 t -77.47 -26.18 51.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -94.38 11.16 31.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.477 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.7 mt -70.92 178.72 3.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -93.78 160.58 32.35 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 1.72 4.15 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.378 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.5 -39.57 3.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -73.34 -53.88 9.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.427 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 24.2 tttt -51.5 -42.21 61.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -69.45 -51.32 37.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.3 ttm-85 -49.8 -47.04 51.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -50.65 -44.75 57.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 33.3 mt -56.44 -55.14 37.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -57.71 -51.57 69.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -47.07 -48.6 22.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.401 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -63.3 -54.54 35.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 63' ' ' LYS . 13.4 mm-40 -40.04 -52.26 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 62' ' ' GLU . 38.0 mtmt -36.24 -49.08 0.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -58.77 -49.72 76.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -42.84 -33.1 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -67.54 -66.43 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -53.9 -34.31 59.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.496 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 0.6 OUTLIER -71.98 -38.65 69.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.8 mt -53.78 -61.26 2.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 4.7 pttm -56.37 -32.73 65.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 30.8 mt-10 -67.01 -6.95 19.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.468 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 28.1 tp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.562 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 52.7 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.799 0.25 . . . . 0.0 112.309 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -61.99 102.79 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.23 110.37 1.64 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.563 0.697 . . . . 0.0 111.091 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 132.96 24.38 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.314 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.879 HG23 ' HG3' ' A' ' 17' ' ' ARG . 27.8 m -54.84 147.67 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.5 p -76.45 169.33 18.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.74 -36.29 85.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -62.24 -36.85 83.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.017 0.437 . . . . 0.0 110.952 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.516 HG12 ' OD1' ' A' ' 20' ' ' ASN . 67.9 t -81.89 -48.72 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.166 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.879 ' HG3' HG23 ' A' ' 12' ' ' VAL . 44.0 mtt-85 -41.34 -31.66 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.6 OUTLIER -83.62 -36.21 24.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 16' ' ' VAL . 91.4 mt -69.95 -30.17 67.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.516 ' OD1' HG12 ' A' ' 16' ' ' VAL . 4.7 m120 -70.3 -60.63 2.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.9 -47.14 77.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.643 ' HB3' HD22 ' A' ' 42' ' ' LEU . 33.0 mmt180 -63.79 -47.74 79.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.922 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.511 ' HA ' HD11 ' A' ' 42' ' ' LEU . 1.5 tpt180 -45.04 -24.28 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -82.28 -51.26 8.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -47.42 -36.89 10.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 29' ' ' ARG . 14.0 mm -70.47 -57.86 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' ILE . 9.2 mmt85 -37.24 -39.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.5 m -65.0 -44.26 89.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' ILE . 50.4 mtt180 -77.81 -54.72 6.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -108.3 80.31 1.1 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.65 0.738 . . . . 0.0 110.834 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -1.79 9.04 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.91 -19.05 16.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 37' ' ' GLU . 7.8 mt -73.21 120.58 81.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.638 0.732 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.5 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.1 Cg_endo -69.74 -162.86 0.1 OUTLIER 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.617 2.212 . . . . 0.0 112.334 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.629 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -73.68 -58.64 2.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.846 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.4 Cg_endo -69.75 19.6 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.319 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.528 ' HB3' HD22 ' A' ' 33' ' ' LEU . 19.9 mm-40 -124.64 -22.5 4.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.7 mt -93.02 -50.35 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.059 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 m -56.62 -28.2 59.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 41' ' ' MET . 0.0 OUTLIER -70.86 -36.77 72.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.466 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 33.7 mtm -70.03 -52.2 26.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' A' ' 22' ' ' ARG . 23.3 mt -53.48 -42.32 67.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.94 -56.17 3.22 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.456 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.69 -40.25 59.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.773 0.32 . . . . 0.0 111.092 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -61.96 -48.18 81.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.753 ' CE3' HD12 ' A' ' 49' ' ' LEU . 57.8 t-105 -48.42 -39.77 23.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.2 t -75.99 -21.73 56.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -94.66 -3.3 49.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.753 HD12 ' CE3' ' A' ' 46' ' ' TRP . 11.5 mt -57.78 158.51 6.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -74.8 157.29 85.92 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.572 0.701 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 1.29 4.52 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.7 2.266 . . . . 0.0 112.415 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.27 -31.99 6.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -84.19 -52.83 5.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.477 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 24.1 tttm -50.12 -41.27 48.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -67.21 -45.28 77.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.5 ttt-85 -52.43 -46.3 66.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -54.92 -33.8 62.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.1 mt -67.01 -56.03 11.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -59.53 -54.94 40.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -40.15 -52.82 2.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.28 -39.88 80.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.22 -58.79 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -41.48 -34.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -79.09 -45.29 20.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -46.55 -33.72 4.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -52.21 -47.98 65.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.406 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -58.75 -47.82 83.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.562 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -59.02 -42.45 90.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.854 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 70' ' ' LYS . 13.1 mt -53.37 -73.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 69' ' ' LEU . 6.2 ptpt -35.02 -55.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 72' ' ' LEU . 35.3 mm-40 -51.42 -53.45 36.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.48 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 6.7 tp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.57 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.814 0.256 . . . . 0.0 112.353 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -85.77 111.97 20.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.21 114.58 5.07 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.574 0.702 . . . . 0.0 111.074 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 172.51 12.5 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.0 m -93.21 168.43 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 14' ' ' GLY . 78.9 p -95.38 146.48 24.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -35.57 -37.44 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.552 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.521 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 9.4 t80 -64.15 -54.54 32.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 110.906 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.841 ' HA ' HD12 ' A' ' 19' ' ' LEU . 92.0 t -66.94 -46.73 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 60' ' ' GLU . 6.6 ttp180 -41.74 -52.47 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.491 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 1.5 t80 -60.09 -40.91 91.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.841 HD12 ' HA ' ' A' ' 16' ' ' VAL . 24.6 mt -61.56 -41.56 97.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -67.3 -32.38 73.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -70.2 -48.65 56.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.504 ' CB ' HD22 ' A' ' 42' ' ' LEU . 3.0 mmp_? -70.79 -35.58 72.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -38.85 -25.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 22' ' ' ARG . 6.0 tp10 -80.91 -53.99 5.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.412 ' OE1' ' NH1' ' A' ' 22' ' ' ARG . 6.0 pt20 -54.08 -37.43 64.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.724 HG21 HG23 ' A' ' 38' ' ' ILE . 40.8 mm -69.72 -39.83 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.9 mmm-85 -58.29 -54.45 46.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.8 m -46.42 -45.59 18.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 -72.24 -60.85 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -110.89 79.24 1.81 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.588 0.708 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -1.53 8.58 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.762 2.308 . . . . 0.0 112.383 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -100.37 -19.2 16.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 33' ' ' LEU . 8.9 mt -67.85 116.64 40.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.615 0.721 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.496 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.2 Cg_endo -69.7 163.97 36.21 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.751 2.301 . . . . 0.0 112.329 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.596 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -42.34 -58.0 3.98 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.6 0.714 . . . . 0.0 110.86 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.5 Cg_endo -69.76 19.35 0.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.697 2.264 . . . . 0.0 112.383 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.496 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 13.0 mm-40 -130.81 -24.44 2.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.724 HG23 HG21 ' A' ' 26' ' ' ILE . 96.4 mt -88.64 -38.51 11.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 m -66.73 -45.02 80.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 41' ' ' MET . 12.7 ptmt -51.91 -32.19 31.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.433 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 40.9 mtm -75.7 -42.86 49.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.504 HD22 ' CB ' ' A' ' 22' ' ' ARG . 68.8 mt -66.25 -42.03 89.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -47.76 -23.06 2.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.541 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.4 -36.61 29.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.72 0.295 . . . . 0.0 111.064 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -63.85 -41.17 97.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.597 ' CE3' HD12 ' A' ' 49' ' ' LEU . 71.5 t-105 -52.59 -42.77 64.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.9 t -73.38 -26.18 60.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.892 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -100.11 13.08 35.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.597 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.0 mt -72.94 159.84 33.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -74.73 157.34 85.98 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 0.0 110.949 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 0.65 5.34 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.297 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.88 -33.89 6.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -80.36 -53.77 6.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.567 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 15.2 tttt -52.13 -41.92 62.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -68.99 -49.0 61.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.983 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -54.12 -38.79 65.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -59.53 -36.1 75.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.9 mt -65.77 -59.98 3.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.98 -51.03 71.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' HB3' ' NH1' ' A' ' 17' ' ' ARG . 4.2 mm-40 -46.2 -56.5 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.24 -51.84 65.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.061 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -43.22 -53.52 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.793 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.408 ' HA ' ' CE ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -42.49 -40.41 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -66.16 -42.64 88.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.824 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -51.47 -52.68 44.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.805 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -45.78 -43.94 13.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.71 -54.09 50.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.57 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -53.74 -42.23 67.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.894 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 mt -54.07 -57.25 11.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -48.86 -59.3 3.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 72' ' ' LEU . 6.6 mm-40 -43.7 -57.73 3.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.488 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 8.8 tp . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.571 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.194 0 CA-C-O 120.849 0.27 . . . . 0.0 112.356 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.405 ' C ' ' CE2' ' A' ' 68' ' ' TYR . 16.9 ttpp -92.62 109.53 20.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.522 ' N ' ' CE2' ' A' ' 68' ' ' TYR . . . -57.27 109.65 1.89 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.584 0.707 . . . . 0.0 111.085 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 10' ' ' ALA . 53.8 Cg_endo -69.72 -170.94 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.394 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.5 m -99.62 137.48 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 13' ' ' THR . 2.0 t -87.58 168.69 12.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.413 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -44.89 -20.67 0.24 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.517 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 18.0 t80 -78.55 -69.83 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.917 0.389 . . . . 0.0 110.935 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.699 ' HA ' HD12 ' A' ' 19' ' ' LEU . 95.9 t -57.77 -37.82 61.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.063 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.4 ttt-85 -53.94 -40.11 66.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.515 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -82.34 -27.13 32.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.902 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 16' ' ' VAL . 65.1 mt -65.45 -44.38 87.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -68.07 -48.52 65.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -51.93 -50.22 61.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.559 ' HB3' HD22 ' A' ' 42' ' ' LEU . 15.4 mmm180 -73.56 -42.65 61.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.401 ' HD2' HG21 ' A' ' 38' ' ' ILE . 7.1 tpt85 -40.66 -25.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 22' ' ' ARG . 7.8 tt0 -81.18 -55.32 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -46.42 -35.89 5.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.8 mm -69.53 -54.17 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.072 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -42.11 -36.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.0 m -66.82 -44.05 82.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.171 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -76.22 -54.39 6.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -109.0 80.98 1.41 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.561 0.696 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.85 -1.17 8.1 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.738 2.292 . . . . 0.0 112.288 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -100.08 -23.67 14.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.485 HD22 ' HB3' ' A' ' 37' ' ' GLU . 7.0 mt -69.07 119.52 70.52 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.605 0.717 . . . . 0.0 110.952 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.49 ' CG ' ' HG3' ' A' ' 37' ' ' GLU . 52.9 Cg_endo -69.8 -163.17 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.576 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.74 -58.63 2.68 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.588 0.708 . . . . 0.0 110.917 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.1 Cg_endo -69.78 19.6 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.65 2.233 . . . . 0.0 112.352 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.49 ' HG3' ' CG ' ' A' ' 34' ' ' PRO . 6.6 mm-40 -124.79 -22.73 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.401 HG21 ' HD2' ' A' ' 23' ' ' ARG . 56.9 mt -92.9 -50.59 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 m -55.23 -26.68 41.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 41' ' ' MET . 8.7 ptmt -72.57 -34.62 67.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.446 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 44.1 mtm -71.49 -51.32 24.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.559 HD22 ' HB3' ' A' ' 22' ' ' ARG . 72.3 mt -51.2 -48.49 61.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -38.31 -43.18 1.42 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.441 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.17 -35.99 80.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.738 0.304 . . . . 0.0 111.083 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 42' ' ' LEU . 16.8 mt-10 -65.18 -44.12 89.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.642 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.6 t-105 -48.64 -38.93 22.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.6 t -77.41 -32.46 54.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -89.74 14.93 10.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.642 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.4 mt -74.47 165.47 25.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -81.59 158.03 69.06 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.537 0.684 . . . . 0.0 110.978 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 2.17 3.77 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.704 2.269 . . . . 0.0 112.304 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.51 -37.13 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -77.67 -54.4 6.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.521 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 21.9 tttt -53.55 -46.89 70.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -63.71 -37.31 86.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -67.05 -39.34 86.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -60.54 -44.71 95.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.7 mt -57.04 -49.4 75.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -62.16 -53.05 60.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -48.99 -55.08 13.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.793 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.413 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -60.81 -45.48 94.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' LYS . 14.2 mt-10 -45.7 -54.95 7.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -42.26 -34.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -90.95 -24.54 20.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 62' ' ' GLU . 45.0 tttp -70.75 -42.15 70.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.873 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.2 pt20 -67.51 -43.33 81.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -54.44 -47.37 72.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.571 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -70.4 -38.24 74.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.821 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.873 HD12 ' HA ' ' A' ' 66' ' ' GLN . 9.2 mt -50.37 -61.94 1.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -53.38 -28.36 28.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -77.81 8.57 4.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.474 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 40.6 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.549 ' HG2' ' CE2' ' A' ' 68' ' ' TYR . 53.3 Cg_endo . . . . . 0 N--CA 1.465 -0.155 0 CA-C-O 120.846 0.269 . . . . 0.0 112.346 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -67.5 95.45 0.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.62 122.28 15.88 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 0.0 111.118 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 161.35 46.25 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.737 2.291 . . . . 0.0 112.366 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.3 m -78.16 132.33 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 16' ' ' VAL . 38.4 p -57.95 138.39 55.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -36.53 -32.43 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.537 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.457 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 6.6 t80 -69.49 -43.2 73.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.62 ' HA ' HD12 ' A' ' 19' ' ' LEU . 74.9 t -73.5 -50.53 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 -39.16 -46.59 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -64.32 -41.78 96.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.62 HD12 ' HA ' ' A' ' 16' ' ' VAL . 65.7 mt -58.89 -49.93 75.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -60.23 -54.28 47.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -55.1 -45.46 75.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.541 ' HB3' HD22 ' A' ' 42' ' ' LEU . 31.0 mmt-85 -75.43 -26.02 57.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.542 ' HA ' HD11 ' A' ' 42' ' ' LEU . 16.6 ttm-85 -48.94 -59.7 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -39.77 -58.43 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -48.56 -36.22 15.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.677 ' CG1' HD21 ' A' ' 42' ' ' LEU . 43.4 mm -76.16 -40.98 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -61.03 -41.87 97.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.0 m -59.26 -43.2 92.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.9 mtt85 -73.4 -52.61 13.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -119.71 81.48 25.36 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.545 0.688 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.79 -0.72 7.34 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.623 2.215 . . . . 0.0 112.274 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -100.45 -29.9 12.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 37' ' ' GLU . 8.7 mt -53.67 117.07 11.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.629 0.728 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.508 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.5 Cg_endo -69.71 163.41 38.34 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.38 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.605 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -41.94 -57.97 3.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.622 0.725 . . . . 0.0 110.903 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.8 Cg_endo -69.72 19.27 0.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.739 2.293 . . . . 0.0 112.376 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.508 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 3.7 mm-40 -130.85 -20.34 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.602 HG23 HG21 ' A' ' 26' ' ' ILE . 96.9 mt -92.67 -32.37 4.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.6 m -73.46 -40.09 64.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -58.72 -28.1 65.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.8 mtm -80.02 -50.11 10.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.677 HD21 ' CG1' ' A' ' 26' ' ' ILE . 79.8 mt -65.39 -29.97 70.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.04 -50.96 61.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.32 -32.81 39.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.777 0.322 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -67.36 -43.94 80.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.669 ' CE3' HD12 ' A' ' 49' ' ' LEU . 71.7 t-105 -56.75 -40.72 76.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.5 t -72.48 -22.45 61.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.827 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -102.8 19.84 18.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.669 HD12 ' CE3' ' A' ' 46' ' ' TRP . 11.7 mt -79.11 160.43 27.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -78.76 159.39 74.06 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.568 0.699 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 2.03 3.94 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.313 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.29 -36.61 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -78.33 -54.37 6.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.516 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 6.9 tttp -48.74 -42.88 36.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.961 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.473 ' HA ' HD12 ' A' ' 58' ' ' LEU . 6.1 tp-100 -66.07 -46.34 78.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.7 ttm105 -53.23 -44.2 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -57.76 -45.8 85.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 55' ' ' GLN . 25.9 mt -57.36 -41.13 79.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -68.66 -47.08 67.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -48.59 -48.3 39.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.4 ' HB2' ' HA2' ' A' ' 14' ' ' GLY . . . -70.35 -46.95 63.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.056 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -48.31 -56.63 7.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -43.32 -46.7 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -60.5 -42.36 96.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 66' ' ' GLN . 31.7 tptt -47.1 -53.42 12.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 65' ' ' LYS . 10.9 mm100 -36.23 -51.95 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -55.84 -59.27 5.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.549 ' CE2' ' HG2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -50.41 -55.11 17.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.877 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.493 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 24.3 mt -45.64 -58.0 3.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -48.19 -60.97 2.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' A' ' 72' ' ' LEU . 13.0 mm-40 -45.91 -56.86 4.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.483 ' C ' ' O ' ' A' ' 71' ' ' GLU . 5.2 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.491 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.842 0.268 . . . . 0.0 112.388 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -93.67 109.75 21.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.39 110.51 1.03 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.537 0.684 . . . . 0.0 111.093 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.517 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.8 167.59 24.05 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.367 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.445 HG12 HG11 ' A' ' 16' ' ' VAL . 35.5 m -82.28 127.66 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 14' ' ' GLY . 6.5 t -82.14 162.47 22.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.467 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -34.84 -37.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.548 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.526 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 25.5 t80 -63.61 -60.98 2.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.371 . . . . 0.0 110.918 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.445 HG11 HG12 ' A' ' 12' ' ' VAL . 55.5 t -65.31 -52.18 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.1 ttt-85 -38.94 -44.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -73.74 -45.48 51.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.526 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 6.0 mt -52.01 -40.5 61.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -67.27 -64.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -41.67 -43.43 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.441 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 41.8 mmt-85 -78.62 -38.16 40.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.643 ' HA ' HD11 ' A' ' 42' ' ' LEU . 3.3 tmt_? -43.32 -39.51 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -63.77 -39.74 95.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -62.99 -35.79 81.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.598 HG21 HG23 ' A' ' 38' ' ' ILE . 31.4 mm -71.78 -37.54 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -68.51 -42.0 79.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 m -59.77 -37.05 77.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -82.2 -48.84 10.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -122.15 80.94 44.04 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.606 0.717 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -0.68 7.34 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -100.28 -26.21 13.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' A' ' 37' ' ' GLU . 8.8 mt -57.25 118.68 26.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.651 0.738 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.488 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.3 Cg_endo -69.72 163.62 37.54 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.72 2.28 . . . . 0.0 112.316 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.566 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -42.09 -57.95 3.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.607 0.718 . . . . 0.0 110.807 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.3 Cg_endo -69.87 19.34 0.19 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.488 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 11.1 mm-40 -130.57 -20.32 2.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.598 HG23 HG21 ' A' ' 26' ' ' ILE . 99.3 mt -93.14 -36.0 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.9 m -71.57 -37.98 71.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -32.95 70.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.527 ' HE3' HD12 ' A' ' 26' ' ' ILE . 25.8 mtm -77.42 -32.65 54.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.643 HD11 ' HA ' ' A' ' 23' ' ' ARG . 72.6 mt -77.21 -61.08 2.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -38.91 -40.38 1.07 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.466 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.84 -38.75 92.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.672 0.272 . . . . 0.0 111.084 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' LEU . 31.0 mm-40 -63.84 -44.64 92.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.568 ' CE3' HD12 ' A' ' 49' ' ' LEU . 60.8 t-105 -44.96 -40.93 6.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.7 t -74.1 -28.89 61.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.823 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -89.25 16.47 7.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.568 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.0 mt -77.94 160.84 27.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.977 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -78.65 159.05 75.04 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.555 0.693 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 2.04 3.92 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.691 2.26 . . . . 0.0 112.308 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.65 -37.6 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -76.61 -55.15 5.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.488 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 6.0 tttp -48.6 -47.16 40.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -61.79 -49.47 76.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -50.51 -56.42 11.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -44.74 -57.37 3.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 28.5 mt -48.31 -39.65 22.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -78.64 -25.95 45.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -73.79 -19.98 60.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.467 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -102.07 -45.06 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -46.55 -31.87 3.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -69.76 -41.83 74.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -70.02 -30.95 68.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.453 ' HG2' ' CD2' ' A' ' 69' ' ' LEU . 5.0 ttpm? -55.86 -45.11 78.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -54.46 -35.81 63.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.8 -17.39 63.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.517 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 1.3 t80 -92.55 -31.54 15.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 69' ' ' LEU . 3.4 mm? -59.7 -57.07 14.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -54.21 -42.06 69.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.91 -10.39 5.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.476 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 14.5 tp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 m -121.11 131.78 54.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.84 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 p -117.86 159.83 22.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.12 133.12 0.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -157.17 147.28 20.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.388 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t 39.06 50.19 1.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.01 -172.53 19.05 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.55 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 54.1 Cg_endo -69.66 143.1 50.23 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.65 2.234 . . . . 0.0 112.357 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.3 ttmm -73.59 99.09 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.558 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -45.11 116.03 2.75 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.566 0.698 . . . . 0.0 111.148 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.453 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 53.7 Cg_endo -69.76 152.02 69.2 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.232 . . . . 0.0 112.385 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.2 m -68.9 135.03 29.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.065 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.7 p -58.98 175.88 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.01 -32.53 82.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.5 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 7.5 t80 -71.0 -38.26 72.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.9 0.381 . . . . 0.0 110.962 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.521 ' HA ' HD12 ' A' ' 19' ' ' LEU . 57.4 t -80.89 -36.45 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.446 ' HE ' ' HB2' ' A' ' 61' ' ' ALA . 14.9 ttm-85 -43.93 -49.61 8.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.535 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 0.6 OUTLIER -67.31 -34.13 76.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 16' ' ' VAL . 12.0 mt -70.5 -29.6 66.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.404 HD21 ' HA ' ' A' ' 20' ' ' ASN . 1.6 m120 -60.58 -60.23 4.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -60.86 -50.49 73.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.535 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 12.5 mmp_? -54.04 -44.84 71.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.422 ' HD2' ' C ' ' A' ' 23' ' ' ARG . 5.1 tmm_? -38.62 -41.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -66.12 -51.12 60.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -42.92 -47.95 5.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.928 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.601 HG21 HG23 ' A' ' 38' ' ' ILE . 37.4 mm -64.77 -58.89 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 26' ' ' ILE . 19.7 mmt180 -35.84 -43.53 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.8 m -61.85 -43.2 99.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 26' ' ' ILE . 44.5 mtt180 -77.29 -56.46 4.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -108.12 77.05 0.65 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.583 0.706 . . . . 0.0 110.823 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -1.59 8.79 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.628 2.219 . . . . 0.0 112.407 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -101.5 -27.9 12.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 37' ' ' GLU . 9.7 mt -63.48 125.34 87.13 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.592 0.71 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.49 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.7 Cg_endo -69.82 -163.35 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.722 2.282 . . . . 0.0 112.368 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.56 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.24 -58.82 2.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 110.829 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.9 Cg_endo -69.74 19.47 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.311 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.614 ' HB3' HD22 ' A' ' 33' ' ' LEU . 5.7 mm-40 -125.91 -25.42 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.601 HG23 HG21 ' A' ' 26' ' ' ILE . 70.5 mt -88.81 -44.71 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.0 m -62.53 -39.27 93.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -58.26 -27.94 64.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.1 mtm -79.86 -48.35 13.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.461 HD21 ' CG1' ' A' ' 26' ' ' ILE . 74.2 mt -57.18 -49.08 77.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -35.83 -53.65 1.14 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.47 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.88 -41.97 46.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.707 0.289 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 42' ' ' LEU . 11.6 mm-40 -59.44 -49.48 77.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.636 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.9 t-105 -45.08 -36.8 3.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 t -78.27 -29.7 48.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.806 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 45' ' ' GLU . 50.3 mtmt -93.77 15.1 17.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.636 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.4 mt -72.72 169.13 17.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -88.8 159.28 46.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.548 0.689 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 0.34 5.79 Favored 'Trans proline' 0 C--N 1.34 0.113 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -109.53 -37.53 5.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -78.29 -53.13 7.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.588 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 16.2 tttt -53.47 -46.04 69.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.563 ' HA ' HD12 ' A' ' 58' ' ' LEU . 1.1 tm0? -63.75 -45.37 90.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -59.83 -55.84 29.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -41.57 -48.92 4.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 55' ' ' GLN . 6.1 mt -59.56 -36.55 76.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.93 -41.66 64.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -56.32 -29.59 61.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.446 ' HB2' ' HE ' ' A' ' 17' ' ' ARG . . . -87.16 12.02 12.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.066 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -99.48 -60.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.422 ' HB2' ' HZ3' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -55.04 -50.4 69.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.935 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -57.85 -50.0 74.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' GLN . 23.9 ttpt -40.89 -57.81 1.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 65' ' ' LYS . 81.4 mt-30 -36.97 -51.63 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.434 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 10.5 tt0 -48.56 -50.79 30.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.558 ' CE2' ' HA ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -63.07 -46.55 86.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.801 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.529 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 26.3 mt -45.82 -58.35 3.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.757 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 15.7 ptpt -57.82 -30.6 65.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.13 4.92 9.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.477 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 27.5 tp -105.52 -46.36 4.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.529 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 5.1 p-90 -98.97 -54.19 3.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.757 ' HB3' ' O ' ' A' ' 70' ' ' LYS . . . -44.12 -22.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.408 ' N ' ' C ' ' A' ' 73' ' ' TRP . 3.4 t80 -94.86 -52.54 4.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.004 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.436 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 33.1 mt-30 -49.21 -42.51 40.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.942 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.1 68.13 3.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -147.14 142.73 27.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -42.39 -48.53 5.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.568 ' HA ' HG12 ' A' ' 83' ' ' VAL . . . -53.71 -35.13 60.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.436 ' CD1' ' HA ' ' A' ' 76' ' ' GLN . 60.3 t80 -63.94 -46.13 86.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -74.48 -57.64 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.579 HG13 ' O ' ' A' ' 83' ' ' VAL . 6.9 p -55.09 119.77 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.144 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -157.44 179.61 9.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.8 t -81.86 40.52 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -110.57 170.82 7.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 94.2 p -139.18 156.49 47.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.783 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 142.96 -91.17 0.17 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.545 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 108.91 2.2 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.72 2.28 . . . . 0.0 112.311 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 91' ' ' SER . 2.6 t -131.69 87.82 2.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 90' ' ' SER . 35.9 m 37.46 46.12 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m 48.06 44.24 18.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.85 0.357 . . . . 0.0 110.838 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 m -100.82 108.54 20.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.781 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.18 144.46 14.97 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.423 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 p -161.87 175.91 11.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.379 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.3 p -76.33 138.35 40.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.61 172.97 2.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.541 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HG3' ' CA ' ' A' ' 72' ' ' LEU . 54.1 Cg_endo -69.72 145.66 58.07 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -83.68 111.27 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.561 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -58.83 128.6 84.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.589 0.709 . . . . 0.0 111.111 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 159.96 51.47 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.745 2.296 . . . . 0.0 112.324 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.4 m -76.89 142.77 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 14' ' ' GLY . 16.1 p -70.0 143.22 52.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -35.24 -36.79 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -61.24 -59.73 4.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.955 0.407 . . . . 0.0 110.936 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.4 t -62.04 -42.12 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.177 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.1 ttt-85 -45.82 -44.63 14.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.557 ' CE2' ' HG3' ' A' ' 22' ' ' ARG . 1.7 t80 -70.11 -42.63 72.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.468 HD22 HG23 ' A' ' 39' ' ' THR . 26.2 mt -51.61 -51.99 51.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -66.56 -48.31 70.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -49.13 -46.21 44.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.557 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 10.1 mmm180 -82.23 -32.62 29.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -39.53 -43.77 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -66.05 -46.09 79.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -50.97 -39.75 56.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.761 HG21 HG23 ' A' ' 38' ' ' ILE . 38.3 mm -69.77 -59.67 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 26' ' ' ILE . 13.5 mmm180 -36.4 -33.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 26' ' ' ILE . 86.0 m -68.3 -45.65 72.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 26' ' ' ILE . 32.6 mtt180 -80.43 -51.69 8.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -107.12 72.98 0.34 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.507 0.67 . . . . 0.0 110.785 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.421 ' CD ' ' O ' ' A' ' 29' ' ' ARG . 53.7 Cg_endo -69.86 -2.82 10.89 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.622 2.215 . . . . 0.0 112.359 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.28 -26.88 13.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.609 HD22 ' HB3' ' A' ' 37' ' ' GLU . 9.8 mt -65.7 125.55 89.99 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 110.888 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.488 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.0 Cg_endo -69.79 -163.26 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.333 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.525 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -72.13 -58.93 2.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.622 0.725 . . . . 0.0 110.854 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.6 Cg_endo -69.69 19.5 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.73 2.286 . . . . 0.0 112.339 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.609 ' HB3' HD22 ' A' ' 33' ' ' LEU . 20.2 mm-40 -126.05 -26.45 3.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.761 HG23 HG21 ' A' ' 26' ' ' ILE . 71.5 mt -87.05 -42.55 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.468 HG23 HD22 ' A' ' 19' ' ' LEU . 38.5 m -60.88 -48.92 79.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 41' ' ' MET . 18.2 pttm -46.93 -34.87 5.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.451 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 56.1 mtm -73.02 -50.33 23.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.47 -50.37 73.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.32 -48.45 5.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.533 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.6 -34.8 73.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.741 0.305 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.22 -35.8 76.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.603 ' CE3' HD12 ' A' ' 49' ' ' LEU . 56.6 t-105 -56.15 -42.75 77.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 t -73.26 -23.1 60.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.794 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -96.84 9.27 42.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.603 HD12 ' CE3' ' A' ' 46' ' ' TRP . 11.7 mt -70.91 159.07 35.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -76.56 157.16 82.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.731 . . . . 0.0 110.86 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 2.76 3.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.55 -36.01 5.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.118 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -80.7 -53.13 6.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.594 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 18.8 tttt -52.9 -41.31 64.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -68.85 -31.23 70.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 -70.89 -39.83 72.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -58.8 -48.6 80.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 26.3 mt -52.02 -54.91 24.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -55.1 -52.23 63.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -39.73 -55.65 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.05 -39.18 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -62.24 -57.5 11.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -44.63 -33.33 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -70.76 -37.52 73.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.054 0.454 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 67' ' ' GLN . 9.1 ttmt -62.87 -53.27 56.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' LYS . 1.1 mp0 -34.26 -34.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' LYS . 4.1 tt0 -86.1 -43.94 12.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.561 ' CE2' ' HA ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -60.61 -15.47 28.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.49 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 15.2 mt -70.35 -60.38 2.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.849 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -52.52 -26.88 14.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.807 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -80.79 11.37 3.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.43 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 30.7 tp -117.87 -38.81 3.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.49 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 5.4 p-90 -107.51 -43.3 4.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.849 ' HB3' ' O ' ' A' ' 70' ' ' LYS . . . -59.2 -15.76 16.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.05 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -103.52 -48.55 3.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.899 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -53.19 -25.27 13.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.36 23.88 6.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.8 m -104.11 156.05 18.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -57.71 -40.73 80.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.37 -18.95 12.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -80.04 -37.97 32.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -75.25 -49.94 17.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.6 p -46.43 -38.42 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.0 t -47.56 173.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.1 p -96.71 92.96 6.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -160.18 123.9 3.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.811 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.4 m -47.96 165.04 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.22 176.46 48.07 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 154.12 68.3 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.704 2.269 . . . . 0.0 112.394 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.4 t -117.57 86.25 2.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.826 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.1 m -42.6 -50.16 5.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.526 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.4 t -133.19 101.99 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.919 0.39 . . . . 0.0 110.782 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.7 p -88.21 -30.97 19.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.29 47.48 34.51 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.447 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -52.7 136.91 32.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.952 0.406 . . . . 0.0 110.799 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -78.92 91.43 4.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.92 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.79 -161.55 13.66 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.449 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.568 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 54.2 Cg_endo -69.72 140.84 43.83 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.67 2.246 . . . . 0.0 112.401 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -78.55 91.8 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.533 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . . . -42.13 120.61 2.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 111.064 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 166.88 26.22 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.632 2.221 . . . . 0.0 112.323 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 m -82.51 143.5 11.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 14' ' ' GLY . 60.5 p -71.54 141.39 50.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -34.2 -37.64 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.499 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -64.65 -49.01 72.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.956 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.491 ' HA ' HD12 ' A' ' 19' ' ' LEU . 95.5 t -70.14 -45.66 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.204 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -41.12 -61.35 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -52.37 -47.4 66.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 16' ' ' VAL . 88.7 mt -53.67 -43.72 69.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -67.57 -56.25 10.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.798 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -46.92 -41.56 16.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -82.16 -34.47 29.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -39.81 -48.61 2.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -62.69 -40.1 96.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -57.33 -40.35 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.641 HG21 HG23 ' A' ' 38' ' ' ILE . 41.2 mm -67.58 -61.3 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 26' ' ' ILE . 27.5 mmt180 -34.13 -47.03 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.0 m -56.51 -44.96 81.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.047 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 26' ' ' ILE . 2.9 mtt-85 -77.11 -55.02 5.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -109.26 75.16 0.69 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.563 0.697 . . . . 0.0 110.834 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 -1.9 9.33 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.703 2.269 . . . . 0.0 112.332 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.63 -27.8 13.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.6 HD22 ' HB3' ' A' ' 37' ' ' GLU . 10.4 mt -63.21 126.24 88.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.494 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.2 Cg_endo -69.7 -163.21 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.565 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.38 -58.79 2.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.609 0.719 . . . . 0.0 110.851 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.3 Cg_endo -69.78 19.53 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.302 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.6 ' HB3' HD22 ' A' ' 33' ' ' LEU . 41.0 mm-40 -126.16 -25.17 3.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.641 HG23 HG21 ' A' ' 26' ' ' ILE . 74.5 mt -88.96 -43.25 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.9 m -64.6 -38.51 91.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -57.48 -35.8 70.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.2 mtm -73.25 -40.13 64.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.408 HD13 ' O ' ' A' ' 19' ' ' LEU . 42.5 mt -66.18 -41.97 89.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.9 -48.97 36.75 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.16 -41.64 75.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.77 0.319 . . . . 0.0 111.081 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -60.63 -40.18 90.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.567 ' CE3' HD12 ' A' ' 49' ' ' LEU . 63.1 t-105 -56.94 -37.65 71.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.4 t -77.34 -26.16 51.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -94.9 6.83 47.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.567 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.4 mt -67.26 171.14 6.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.402 ' CD ' ' HD2' ' A' ' 51' ' ' PRO . 7.1 mm100 -89.74 160.19 41.84 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.613 0.72 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.402 ' HD2' ' CD ' ' A' ' 50' ' ' GLN . 54.0 Cg_endo -69.75 0.91 4.95 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.73 -35.81 5.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -80.0 -53.39 6.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.524 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 23.3 tttt -52.23 -42.96 64.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -68.43 -46.97 68.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -53.43 -35.48 60.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -64.54 -45.52 86.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 26.0 mt -56.32 -54.82 40.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -55.8 -58.03 9.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -42.71 -45.27 4.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.94 -45.43 74.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.032 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -46.82 -61.31 1.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -45.39 -53.67 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -48.02 -46.35 32.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -42.69 -57.0 2.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.406 ' HB3' ' NZ ' ' A' ' 70' ' ' LYS . 14.6 mt-30 -39.31 -62.6 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' GLN . 5.8 tt0 -37.54 -35.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.568 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -82.92 -44.19 15.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.59 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 11.2 mt -51.22 -56.62 11.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.525 ' HA ' ' CE2' ' A' ' 73' ' ' TRP . 50.4 mttp -49.77 -62.64 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.465 ' O ' ' C ' ' A' ' 72' ' ' LEU . 21.5 mm-40 -42.16 -57.46 2.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.48 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 14.1 tp -32.16 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.59 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 12.7 p-90 -73.13 -54.82 7.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -34.17 -33.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.49 ' N ' ' O ' ' A' ' 73' ' ' TRP . 1.5 t80 -85.73 -50.94 6.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -49.0 -25.92 2.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -76.79 -36.02 57.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -47.59 126.8 10.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 12.7 pt-20 -46.94 -50.27 19.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.464 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -40.89 -26.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.071 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' GLU . 78.2 t80 -71.08 -65.44 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.985 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.56 -47.3 39.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.2 p -63.54 -31.97 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.0 m -69.23 94.14 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.2 p -89.83 144.73 25.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -107.46 106.45 16.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.3 t -130.11 179.32 5.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -121.02 87.21 0.41 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 172.4 12.72 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.738 2.292 . . . . 0.0 112.273 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 69.0 m -105.02 -177.59 3.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.3 t -89.85 92.19 8.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.921 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -65.58 148.78 51.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 0.0 110.879 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -109.78 117.09 32.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.784 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.33 119.62 3.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 m -102.84 -45.21 5.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.942 0.401 . . . . 0.0 110.893 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -105.39 172.61 6.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.27 165.4 35.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.525 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.563 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 55.0 Cg_endo -69.68 144.22 53.78 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.694 2.263 . . . . 0.0 112.401 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -83.15 100.31 10.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -41.09 105.43 0.38 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 111.092 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.406 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.78 130.91 20.14 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.398 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.4 m -48.93 138.45 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.1 t -83.39 163.09 20.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -40.76 -38.65 1.64 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.459 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.507 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 18.7 t80 -57.86 -64.81 0.78 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.946 0.403 . . . . 0.0 110.845 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.488 ' HA ' HD12 ' A' ' 19' ' ' LEU . 49.2 t -61.66 -52.92 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.202 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' VAL . 17.2 ttt85 -38.04 -48.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -70.63 -38.06 73.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.507 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 6.8 mt -59.5 -41.96 91.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.439 HD21 HG12 ' A' ' 16' ' ' VAL . 10.7 m-20 -66.33 -63.21 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -45.42 -44.89 12.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 25' ' ' GLN . 11.2 mmm180 -73.32 -41.54 63.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.413 ' HD2' ' C ' ' A' ' 23' ' ' ARG . 5.4 tmm_? -37.59 -47.11 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.84 -39.61 89.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 22' ' ' ARG . 16.4 mm-40 -61.33 -31.59 71.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.745 HG21 HG23 ' A' ' 38' ' ' ILE . 36.7 mm -78.98 -38.99 21.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.477 ' HD3' ' CD1' ' A' ' 38' ' ' ILE . 2.7 mmm180 -65.08 -35.85 82.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.4 m -65.59 -36.46 83.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.21 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -81.81 -46.05 14.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -123.56 79.73 54.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.594 0.712 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -1.39 8.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.35 -20.45 15.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.622 HD22 ' HB3' ' A' ' 37' ' ' GLU . 8.5 mt -65.81 125.22 89.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.501 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.2 Cg_endo -69.79 -163.15 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.678 2.252 . . . . 0.0 112.323 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.553 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.53 -58.84 2.74 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.716 0.769 . . . . 0.0 110.899 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.2 Cg_endo -69.78 19.55 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.705 2.27 . . . . 0.0 112.379 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.622 ' HB3' HD22 ' A' ' 33' ' ' LEU . 5.1 mm-40 -125.98 -23.12 4.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.745 HG23 HG21 ' A' ' 26' ' ' ILE . 93.6 mt -92.14 -43.24 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.5 m -66.21 -39.63 89.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.212 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -56.64 -31.27 64.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.7 mtm -77.84 -42.89 32.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.791 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.487 HD21 ' CG1' ' A' ' 26' ' ' ILE . 44.1 mt -67.02 -54.72 18.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -36.81 -38.67 0.32 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.15 -42.02 60.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' LEU . 31.6 mm-40 -55.87 -42.74 76.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.541 ' CH2' ' HG2' ' A' ' 54' ' ' LYS . 34.6 t-105 -58.81 -41.11 85.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -74.9 -19.1 60.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -97.38 -8.36 29.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.954 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.515 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.8 mt -51.87 168.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -82.27 158.35 66.78 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.516 0.674 . . . . 0.0 110.977 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 3.24 2.91 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.654 2.236 . . . . 0.0 112.348 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -115.03 -34.35 5.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -81.34 -51.59 8.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.541 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 17.3 tttt -52.66 -40.69 63.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.952 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -67.97 -48.14 66.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -52.17 -50.99 60.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -47.66 -43.6 26.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.6 mt -56.63 -56.2 24.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.936 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -55.69 -50.94 68.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -42.11 -53.65 3.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.19 -48.88 66.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.076 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -40.7 -53.02 2.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -38.75 -40.11 0.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -74.64 -56.73 4.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.017 0.437 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -40.92 -30.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -62.37 -68.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -57.11 -31.11 64.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.563 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.4 OUTLIER -63.44 -47.72 80.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.965 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.467 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 14.3 mt -43.28 -61.4 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.666 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 36.7 mtmm -50.49 -47.41 57.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 8' ' ' PRO . 23.0 mm-40 -53.04 -21.39 4.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.471 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 16.9 tp -82.09 -58.53 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.467 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 12.7 p-90 -90.45 -54.15 4.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 70' ' ' LYS . . . -41.76 -25.97 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.09 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -91.33 -45.05 8.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.959 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -57.68 -46.93 83.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -83.58 16.96 2.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.7 t -92.73 152.61 19.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -55.94 -44.9 78.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.84 -21.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.202 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -77.86 -46.46 21.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -66.78 -54.08 26.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.955 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.8 p -49.51 -30.46 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 61.7 m -93.83 152.05 19.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.0 t -62.86 164.89 7.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -150.76 161.46 42.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.1 m -39.24 -45.03 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -85.94 -161.72 35.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.463 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 136.94 34.06 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.26 . . . . 0.0 112.342 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.2 t -90.07 -53.22 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 t -47.25 -46.61 24.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.899 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.527 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -165.48 178.01 7.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 110.893 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -155.84 149.71 25.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.11 94.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 p -124.42 137.28 54.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.897 0.379 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 t -100.57 148.25 25.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.51 -158.3 0.27 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.446 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.557 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.7 Cg_endo -69.72 168.69 20.77 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.375 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' C ' ' CE2' ' A' ' 68' ' ' TYR . 3.5 tppt? -97.24 111.47 23.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.13 115.75 14.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.629 0.728 . . . . 0.0 111.097 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -163.78 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 2.28 . . . . 0.0 112.399 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 m -119.81 145.63 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.986 0.422 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -63.97 165.16 9.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.556 ' HA2' ' HB2' ' A' ' 61' ' ' ALA . . . -54.74 -33.5 55.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.444 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.492 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 7.0 t80 -64.02 -61.9 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.972 0.415 . . . . 0.0 110.903 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.72 HG12 ' OD1' ' A' ' 20' ' ' ASN . 38.9 t -60.25 -41.09 85.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.7 ttt-85 -44.9 -43.17 8.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.506 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -71.11 -30.5 66.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.985 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.492 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 82.1 mt -77.52 -17.04 58.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.72 ' OD1' HG12 ' A' ' 16' ' ' VAL . 35.2 m120 -79.91 -53.81 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -61.25 -47.91 83.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.543 ' HB2' HD13 ' A' ' 42' ' ' LEU . 2.7 mmp_? -62.07 -43.51 98.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.931 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' ARG . 1.2 tmt_? -37.32 -43.34 0.54 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -65.48 -48.22 73.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -52.78 -45.73 67.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.662 ' CG1' HD21 ' A' ' 42' ' ' LEU . 42.8 mm -62.91 -61.23 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' ILE . 15.6 mmm180 -35.04 -48.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.8 m -55.37 -43.59 75.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 26' ' ' ILE . 30.8 mtt85 -77.85 -56.23 4.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -108.01 75.45 0.54 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.647 0.737 . . . . 0.0 110.83 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.68 -2.17 9.65 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.69 2.26 . . . . 0.0 112.329 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -100.87 -23.34 14.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.594 HD22 ' HB3' ' A' ' 37' ' ' GLU . 8.3 mt -68.55 125.25 91.54 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.535 0.683 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.494 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.2 Cg_endo -69.75 -163.19 0.1 Allowed 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.594 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.34 -58.88 2.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.691 0.757 . . . . 0.0 110.897 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.8 Cg_endo -69.75 19.44 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.387 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.594 ' HB3' HD22 ' A' ' 33' ' ' LEU . 9.1 mm-40 -126.05 -25.45 3.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.598 HG23 HG21 ' A' ' 26' ' ' ILE . 94.4 mt -87.51 -43.13 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.224 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.0 m -62.42 -41.77 98.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 41' ' ' MET . 7.7 ptmm? -57.5 -33.89 68.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.451 ' HE1' HD12 ' A' ' 33' ' ' LEU . 39.1 mtm -72.26 -49.64 33.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.662 HD21 ' CG1' ' A' ' 26' ' ' ILE . 34.8 mt -64.88 -35.15 80.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.64 -42.9 45.65 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.53 -36.82 85.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.795 0.331 . . . . 0.0 111.162 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -62.2 -41.14 98.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.571 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.3 t-105 -49.83 -36.98 28.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -81.86 -23.71 36.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -95.19 9.77 38.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.571 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.6 mt -71.19 175.47 5.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -91.16 159.24 40.03 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.542 0.687 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 2.19 3.74 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.302 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.09 -35.42 5.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -81.12 -53.43 6.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.44 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 23.1 tttm -50.48 -43.8 55.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.704 ' OE1' HD12 ' A' ' 58' ' ' LEU . 3.0 tp-100 -65.31 -55.76 16.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -45.48 -45.92 13.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -52.97 -44.98 67.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.704 HD12 ' OE1' ' A' ' 55' ' ' GLN . 45.5 mt -56.51 -57.81 10.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 62' ' ' GLU . 38.6 t70 -57.8 -53.0 63.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.795 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -45.04 -39.73 5.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.556 ' HB2' ' HA2' ' A' ' 14' ' ' GLY . . . -74.64 -27.67 60.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 59' ' ' ASP . 80.4 mt-10 -72.78 -36.89 67.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -74.49 -34.51 63.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -76.15 -18.81 58.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.488 ' CG ' ' CD2' ' A' ' 69' ' ' LEU . 6.4 ttmt -75.88 -60.54 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.433 ' HA ' HD23 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -49.34 -31.12 8.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -65.35 -30.87 71.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.557 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -89.67 -33.97 16.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.83 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.569 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 1.4 mm? -49.25 -56.54 9.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.785 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 44.8 mtpt -58.95 -31.4 68.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -67.98 -3.39 9.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.482 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 57.5 tp -103.17 -50.73 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.569 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 7.7 p-90 -95.88 -52.94 3.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.785 ' HB3' ' O ' ' A' ' 70' ' ' LYS . . . -45.87 -22.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.099 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -92.24 -54.63 3.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.452 ' O ' ' CD2' ' A' ' 81' ' ' TYR . 69.0 mt-30 -51.24 -37.47 47.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -65.58 -41.31 93.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.6 p -38.23 129.06 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.807 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -43.48 -50.22 7.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.48 -45.08 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.452 ' CD2' ' O ' ' A' ' 76' ' ' GLN . 80.2 t80 -52.65 -50.18 63.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' VAL . 35.7 mtpt -74.78 -60.87 2.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.606 ' O ' HG22 ' A' ' 83' ' ' VAL . 13.2 p 34.75 35.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 82' ' ' LYS . 26.8 p -135.97 175.28 9.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 40.5 p -50.8 137.8 19.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -136.79 147.94 46.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.1 p -79.92 179.34 7.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.78 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.75 147.4 11.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -171.95 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.648 2.232 . . . . 0.0 112.359 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.8 t -107.91 151.18 26.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.8 m -64.03 162.72 13.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.559 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.7 m -87.99 138.1 31.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 110.903 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -44.09 -55.28 4.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.33 111.82 0.47 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 m -110.56 121.71 45.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 m -149.68 152.84 36.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.62 166.11 32.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.535 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.576 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.4 Cg_endo -69.72 145.96 58.98 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.7 2.267 . . . . 0.0 112.368 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.66 114.32 15.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.08 110.55 2.76 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.625 0.726 . . . . 0.0 111.106 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 143.5 50.92 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG2' ' HG3' ' A' ' 17' ' ' ARG . 8.1 m -61.52 152.74 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 t -85.31 153.23 22.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.58 -19.22 0.76 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.429 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 8.6 t80 -78.42 -34.4 48.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 0.0 110.921 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 19' ' ' LEU . 18.7 t -77.02 -51.76 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.472 ' HG3' ' CG2' ' A' ' 12' ' ' VAL . 2.1 mtt-85 -38.03 -36.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 27.2 t80 -75.71 -39.71 56.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 16' ' ' VAL . 85.6 mt -61.32 -39.65 91.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -64.06 -74.74 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -41.03 -48.43 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 24.3 mmt180 -62.73 -52.14 64.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 22' ' ' ARG . 2.6 tmm_? -36.43 -30.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 22' ' ' ARG . 11.6 tt0 -71.44 -47.72 54.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 22' ' ' ARG . 45.0 mm-40 -55.71 -40.45 72.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.713 HG21 HG23 ' A' ' 38' ' ' ILE . 36.7 mm -68.23 -58.8 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' ILE . 20.3 mmt180 -36.47 -42.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.83 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.3 m -59.69 -47.4 85.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' ILE . 21.5 mtt180 -75.73 -53.98 7.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 47.0 m80 -107.19 75.06 0.42 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.541 0.686 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 29' ' ' ARG . 53.8 Cg_endo -69.7 -2.38 10.04 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.749 2.299 . . . . 0.0 112.305 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -102.02 -31.67 10.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.611 HD22 ' HB3' ' A' ' 37' ' ' GLU . 9.1 mt -59.68 125.33 79.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.489 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.2 Cg_endo -69.75 -163.16 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.525 ' N ' ' HD2' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -72.29 -58.82 2.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.659 0.742 . . . . 0.0 110.87 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.4 Cg_endo -69.76 19.53 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.716 2.278 . . . . 0.0 112.343 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.611 ' HB3' HD22 ' A' ' 33' ' ' LEU . 20.3 mm-40 -126.09 -25.54 3.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.713 HG23 HG21 ' A' ' 26' ' ' ILE . 81.4 mt -87.87 -40.68 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.06 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.422 HG23 HD22 ' A' ' 19' ' ' LEU . 50.1 m -63.82 -45.3 90.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -51.24 -33.95 30.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 53.7 mtm -73.74 -47.54 38.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.445 HD13 ' HB2' ' A' ' 22' ' ' ARG . 47.2 mt -59.2 -41.43 88.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -44.41 -38.09 5.06 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.92 -37.05 85.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.722 0.296 . . . . 0.0 111.083 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -66.02 -38.44 88.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.684 ' CE3' HD12 ' A' ' 49' ' ' LEU . 69.5 t-105 -55.63 -33.13 63.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.8 t -81.1 -20.2 41.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -100.07 11.86 38.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.961 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.684 HD12 ' CE3' ' A' ' 46' ' ' TRP . 11.1 mt -72.92 156.2 39.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -75.16 159.6 82.15 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.561 0.696 . . . . 0.0 110.96 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 1.68 4.22 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.381 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.29 -39.54 4.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -75.04 -55.18 6.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.519 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 6.9 tttp -48.65 -41.8 32.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -70.31 -45.9 65.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -52.67 -42.53 64.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -59.09 -42.74 91.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 33.9 mt -59.53 -55.61 32.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -55.63 -48.36 75.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -45.46 -57.69 3.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.414 ' HB2' ' HD2' ' A' ' 17' ' ' ARG . . . -62.0 -41.84 98.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 65' ' ' LYS . 35.6 mt-10 -53.64 -52.85 58.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -46.81 -32.16 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -84.44 -24.03 29.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.824 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' GLU . 68.4 tttt -64.97 -42.31 94.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -47.42 -53.26 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -52.58 -65.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.576 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -44.84 -50.53 10.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.42 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 12.3 mt -46.62 -62.51 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.537 ' HA ' ' CE2' ' A' ' 73' ' ' TRP . 47.4 mttm -48.53 -59.22 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.485 ' O ' ' C ' ' A' ' 72' ' ' LEU . 13.3 mt-10 -40.93 -59.77 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.495 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 16.0 tp -31.53 -75.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.537 ' CE2' ' HA ' ' A' ' 70' ' ' LYS . 13.0 p-90 -73.65 -55.83 5.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -32.9 -35.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.501 ' N ' ' O ' ' A' ' 73' ' ' TRP . 2.0 t80 -86.01 -55.14 4.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -39.69 -32.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -102.26 48.57 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.9 t -137.33 151.02 48.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.32 -44.78 23.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.417 ' HA ' HG12 ' A' ' 83' ' ' VAL . . . -49.42 -38.28 28.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -65.83 -46.38 78.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -67.15 -57.49 6.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 84' ' ' CYS . 8.3 p -52.51 -40.4 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.155 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.434 ' N ' HG13 ' A' ' 83' ' ' VAL . 93.5 m -77.09 157.24 31.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.6 p -75.44 135.86 40.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -119.46 130.56 55.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.8 t -44.5 110.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.69 78.95 0.14 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.441 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 109.64 2.36 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.5 m -150.64 129.13 12.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.3 m -46.82 104.05 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.533 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 m -135.0 140.08 45.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -105.53 81.79 1.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.77 106.04 1.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -117.49 100.15 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 t -166.21 132.15 2.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.833 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.39 -171.87 52.61 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.445 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.478 ' HB3' ' CB ' ' A' ' 71' ' ' GLU . 53.1 Cg_endo -69.8 149.99 67.37 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.607 2.204 . . . . 0.0 112.329 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -76.83 95.56 4.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.491 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -47.54 105.93 0.54 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.596 0.712 . . . . 0.0 111.082 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 174.22 9.85 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.712 2.275 . . . . 0.0 112.322 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.8 m -105.72 159.55 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.174 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 14' ' ' GLY . 23.2 p -84.49 148.76 26.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.501 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -35.75 -40.9 0.36 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.442 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.578 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 21.6 t80 -60.95 -58.1 9.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.934 0.397 . . . . 0.0 110.932 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.817 ' HA ' HD12 ' A' ' 19' ' ' LEU . 85.8 t -63.3 -52.55 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 16' ' ' VAL . 30.6 ttt85 -37.09 -59.37 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.559 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -57.32 -39.46 75.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 16' ' ' VAL . 25.2 mt -62.47 -31.38 72.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -68.22 -60.39 2.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -51.87 -44.2 63.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.559 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 12.6 mmt180 -68.26 -45.89 71.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.411 ' HD2' ' C ' ' A' ' 23' ' ' ARG . 2.0 tmm_? -37.51 -35.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -70.21 -48.48 56.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' ARG . 24.0 mm-40 -52.17 -41.28 62.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.576 HG21 HG23 ' A' ' 38' ' ' ILE . 33.4 mm -67.63 -60.96 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' ILE . 16.8 mmt180 -35.74 -48.88 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.4 m -55.13 -43.83 74.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 26' ' ' ILE . 79.2 mtt180 -76.88 -57.42 3.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -107.53 76.94 0.55 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 29' ' ' ARG . 54.3 Cg_endo -69.7 -2.32 9.93 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.745 2.296 . . . . 0.0 112.334 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -100.89 -21.01 15.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.569 HD22 ' HB3' ' A' ' 37' ' ' GLU . 7.8 mt -70.59 123.8 89.75 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.6 0.714 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.482 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.9 Cg_endo -69.74 -163.05 0.1 OUTLIER 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.58 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.61 -58.91 2.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 110.826 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.1 Cg_endo -69.76 19.37 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.687 2.258 . . . . 0.0 112.352 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.569 ' HB3' HD22 ' A' ' 33' ' ' LEU . 22.9 mm-40 -125.57 -25.48 3.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.576 HG23 HG21 ' A' ' 26' ' ' ILE . 87.1 mt -87.58 -43.77 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.6 m -61.64 -46.66 88.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 41' ' ' MET . 18.7 pttp -51.13 -35.4 35.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.467 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 45.0 mtm -71.9 -44.93 62.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 45' ' ' GLU . 86.5 mt -61.7 -50.03 74.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -35.55 -41.93 0.42 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.68 96.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.754 0.311 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 42' ' ' LEU . 16.4 mm-40 -61.75 -46.95 87.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.556 ' CE3' HD12 ' A' ' 49' ' ' LEU . 58.9 t-105 -51.05 -39.89 56.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.4 t -75.31 -25.06 57.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -95.99 6.91 47.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.556 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.6 mt -69.02 161.53 28.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -75.44 158.32 83.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.663 0.744 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 1.93 3.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.308 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.1 -39.45 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -76.01 -53.96 7.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 34.3 tttt -53.33 -47.73 69.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -62.23 -47.86 82.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -55.8 -45.41 78.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -52.2 -40.32 61.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.25 -45.15 94.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -69.88 -30.72 68.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -63.55 -31.53 72.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.501 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -88.2 -51.26 5.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.507 ' CG ' ' N ' ' A' ' 63' ' ' LYS . 7.7 pt-20 -46.52 -49.13 19.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.507 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 50.3 mtmt -58.24 -48.21 81.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -55.74 -47.04 77.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.587 ' HE3' HD21 ' A' ' 69' ' ' LEU . 16.6 tttp -60.07 -51.3 70.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -38.47 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 65' ' ' LYS . 4.9 tt0 -88.55 -53.65 4.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.59 ' HD1' HD22 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -43.67 -26.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.595 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 4.0 mm? -67.65 -54.01 23.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.765 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 35.7 mttp -66.47 -4.41 8.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.478 ' CB ' ' HB3' ' A' ' 8' ' ' PRO . 20.3 mt-10 -104.11 2.63 32.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.434 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 52.7 tp -100.95 -38.66 8.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 3.4 p-90 -102.29 -54.45 2.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' A' ' 70' ' ' LYS . . . -41.69 -23.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' TRP . 2.7 t80 -91.75 -49.65 6.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -50.35 -31.15 13.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -111.75 35.03 3.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.7 p -88.58 169.86 11.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -69.94 -24.83 63.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.21 -42.22 46.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -58.51 -44.8 89.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.94 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 83' ' ' VAL . 30.5 mttp -79.15 -60.67 2.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.933 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.533 ' O ' HG22 ' A' ' 83' ' ' VAL . 10.5 p 33.9 39.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.4 t -149.35 155.38 40.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.4 t -95.24 134.51 37.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.09 171.23 7.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 m -128.54 143.85 51.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 146.94 -101.31 0.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 164.7 33.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.629 2.219 . . . . 0.0 112.379 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.2 t -157.42 128.92 6.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.1 t -105.77 171.73 7.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.7 p -134.98 111.5 9.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.882 0.372 . . . . 0.0 110.847 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.3 m -92.0 156.17 17.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.1 77.79 0.87 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.532 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 p -117.6 -175.19 2.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 p -118.18 114.63 23.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.61 -157.07 27.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.529 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.567 ' HG2' ' CE2' ' A' ' 68' ' ' TYR . 54.2 Cg_endo -69.72 128.45 16.09 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.322 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.67 101.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.55 127.66 4.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.564 0.697 . . . . 0.0 111.15 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -176.03 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.312 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.575 HG21 ' HB3' ' A' ' 17' ' ' ARG . 22.5 m -109.16 169.59 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 16' ' ' VAL . 75.3 p -105.87 145.93 30.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.13 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -36.48 -33.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 13' ' ' THR . 24.7 t80 -72.22 -42.65 65.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.349 . . . . 0.0 110.892 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.712 ' HA ' HD12 ' A' ' 19' ' ' LEU . 59.9 t -68.44 -68.73 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.963 ' HD2' ' HB2' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -41.38 -27.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.435 ' CE2' ' HG3' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -78.53 -38.4 40.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' A' ' 16' ' ' VAL . 7.4 mt -54.39 -47.17 73.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -67.58 -59.38 3.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -39.48 -45.44 1.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.435 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 36.8 mmt180 -83.74 -33.06 25.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.407 ' HD2' ' C ' ' A' ' 23' ' ' ARG . 5.2 tmm_? -41.54 -39.65 1.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -68.05 -42.05 81.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -55.71 -39.74 71.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.654 HG21 HG23 ' A' ' 38' ' ' ILE . 32.7 mm -68.76 -58.73 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' ILE . 17.6 mmm180 -36.92 -46.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.3 m -57.12 -41.99 80.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' ILE . 12.0 mtt-85 -80.08 -57.9 3.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.802 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -107.18 74.99 0.42 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.582 0.706 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 29' ' ' ARG . 54.5 Cg_endo -69.85 -1.94 9.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.662 2.241 . . . . 0.0 112.396 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -101.71 -25.53 13.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 37' ' ' GLU . 9.4 mt -64.86 126.24 90.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.487 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.5 Cg_endo -69.8 -163.23 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.316 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.592 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.19 -58.89 2.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 110.818 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.9 Cg_endo -69.76 19.48 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.577 ' HB3' HD22 ' A' ' 33' ' ' LEU . 17.5 mm-40 -126.03 -24.72 3.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.654 HG23 HG21 ' A' ' 26' ' ' ILE . 87.2 mt -88.76 -40.92 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.408 HG23 HD22 ' A' ' 19' ' ' LEU . 15.3 m -66.1 -46.34 77.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 41' ' ' MET . 10.2 pttm -51.15 -27.98 9.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.846 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.412 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 38.9 mtm -78.64 -48.15 15.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 45' ' ' GLU . 73.6 mt -56.92 -45.36 82.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.08 -47.48 2.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.34 -33.16 75.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' LEU . 6.5 mm-40 -63.68 -51.08 66.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.7 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.1 t-105 -47.18 -35.67 7.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.3 t -78.57 -25.53 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.97 0.414 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -96.95 10.51 38.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.7 HD12 ' CE3' ' A' ' 46' ' ' TRP . 11.4 mt -68.29 161.62 26.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -82.14 160.52 62.7 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 0.0 110.976 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.84 3.18 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.52 -38.55 4.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -75.94 -52.5 10.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.572 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 22.3 tttt -51.83 -47.8 64.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -59.89 -41.07 90.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.4 ttt85 -61.29 -50.88 71.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -52.37 -39.21 60.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.2 mt -65.91 -64.58 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.977 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -56.19 -22.97 32.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -65.62 -42.04 91.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.963 ' HB2' ' HD2' ' A' ' 17' ' ' ARG . . . -76.89 -41.72 42.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 65' ' ' LYS . 64.9 mt-10 -43.4 -53.85 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -42.74 -45.4 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -68.23 -31.01 70.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' GLU . 17.5 tttp -59.47 -51.18 70.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -44.78 -36.3 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -69.34 -67.93 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.567 ' CE2' ' HG2' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -41.4 -44.46 2.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.547 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 11.0 mt -49.25 -58.19 5.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.52 ' HA ' ' CE2' ' A' ' 73' ' ' TRP . 53.4 mttp -49.94 -68.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 72' ' ' LEU . 21.6 mm-40 -35.25 -59.14 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.492 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 29.2 tp -30.39 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.547 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 11.3 p-90 -74.57 -53.49 9.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -37.62 -28.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 77' ' ' GLN . 1.2 t80 -86.93 -61.12 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.576 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 68.6 mt-30 -38.74 -26.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 75' ' ' TYR . 21.4 mm-40 -75.75 -45.26 37.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.82 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 75' ' ' TYR . 4.0 p -36.12 146.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -41.04 89.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.89 -36.47 17.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.576 ' CD1' ' HA ' ' A' ' 76' ' ' GLN . 61.8 t80 -59.42 -48.74 80.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 83' ' ' VAL . 1.6 mtpm? -72.3 -62.81 1.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.975 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.562 HG13 ' O ' ' A' ' 83' ' ' VAL . 7.6 p 31.84 43.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 m -134.75 -178.01 4.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.99 126.28 48.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -164.4 137.7 5.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.6 p -100.18 129.19 46.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -72.5 -142.0 0.42 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 168.75 20.74 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.624 2.216 . . . . 0.0 112.393 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 96.4 p -111.68 171.68 7.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 m -103.12 130.26 50.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.463 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 t -110.31 102.34 11.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.85 0.357 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 m -71.34 -45.7 62.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.85 -150.13 12.98 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 p -93.45 159.36 15.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 t -123.39 -40.7 2.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.61 -159.97 15.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.563 ' HG2' ' CE2' ' A' ' 68' ' ' TYR . 53.2 Cg_endo -69.77 133.32 25.27 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.634 2.222 . . . . 0.0 112.371 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -60.53 98.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -37.99 134.24 0.86 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.558 0.694 . . . . 0.0 111.061 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.441 ' HD3' ' CG ' ' A' ' 68' ' ' TYR . 54.2 Cg_endo -69.7 -169.32 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 m -139.21 163.06 26.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.169 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.467 ' OG1' HG23 ' A' ' 16' ' ' VAL . 29.1 p -78.75 154.88 29.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.183 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.91 -14.67 5.69 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.645 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 22.7 t80 -92.34 -20.02 21.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.938 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 19' ' ' LEU . 54.2 t -87.3 -58.79 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.08 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.822 ' HD2' ' HB2' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -40.4 -34.29 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.963 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.517 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -78.76 -37.2 41.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.812 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.645 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 11.5 mt -58.95 -50.01 75.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -68.04 -56.46 8.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -47.99 -42.6 28.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.758 ' HB3' HD22 ' A' ' 42' ' ' LEU . 32.2 mmt180 -79.49 -31.46 42.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.535 ' HA ' HD11 ' A' ' 42' ' ' LEU . 3.3 tmm_? -53.65 -26.0 20.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -76.06 -46.05 31.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -54.28 -38.87 66.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.548 HG21 HG23 ' A' ' 38' ' ' ILE . 21.7 mm -69.07 -59.54 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 26' ' ' ILE . 19.6 mmt180 -36.04 -45.7 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 60.9 m -58.35 -42.27 86.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 26' ' ' ILE . 65.0 mtt180 -80.02 -57.16 3.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -108.06 74.86 0.51 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -1.27 8.19 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.365 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.97 -34.64 10.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.823 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 37' ' ' GLU . 12.6 mt -55.68 120.97 36.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.558 0.694 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.484 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.1 Cg_endo -69.8 163.16 39.34 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.707 2.271 . . . . 0.0 112.372 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.539 ' N ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -41.78 -57.93 3.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.656 0.741 . . . . 0.0 110.921 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.4 Cg_endo -69.74 19.5 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.589 2.193 . . . . 0.0 112.424 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.524 ' HB3' HD22 ' A' ' 33' ' ' LEU . 3.2 mm-40 -130.78 -26.84 2.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.548 HG23 HG21 ' A' ' 26' ' ' ILE . 96.7 mt -85.0 -36.31 11.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 m -68.46 -47.1 68.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -46.85 -27.91 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 27.8 mtm -81.15 -49.05 11.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.758 HD22 ' HB3' ' A' ' 22' ' ' ARG . 83.3 mt -55.43 -47.87 75.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -45.25 -49.08 10.54 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.546 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.405 ' HB1' ' HE2' ' A' ' 48' ' ' LYS . . . -57.32 -40.01 77.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 111.1 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -61.5 -42.13 98.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.664 ' CE3' HD12 ' A' ' 49' ' ' LEU . 66.8 t-105 -55.59 -36.4 66.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 t -76.87 -27.83 55.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HE2' ' HB1' ' A' ' 44' ' ' ALA . 27.2 mtmt -97.28 10.36 39.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.664 HD12 ' CE3' ' A' ' 46' ' ' TRP . 11.6 mt -66.62 169.12 8.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -85.36 159.55 55.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.546 0.688 . . . . 0.0 110.939 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -0.75 7.46 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.702 2.268 . . . . 0.0 112.32 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.53 -36.13 5.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -77.93 -52.55 8.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.502 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 20.5 tttt -52.35 -39.07 60.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -73.27 -44.77 58.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.403 ' NH2' ' CE1' ' A' ' 57' ' ' TYR . 35.7 ttp85 -54.59 -33.4 60.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.403 ' CE1' ' NH2' ' A' ' 56' ' ' ARG . 16.0 m-85 -67.49 -40.18 85.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 38.9 mt -61.06 -57.43 12.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -57.8 -55.01 40.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -43.08 -49.69 6.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.822 ' HB2' ' HD2' ' A' ' 17' ' ' ARG . . . -62.21 -39.86 94.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -58.72 -54.08 51.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -43.39 66.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -57.63 -38.47 75.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -51.75 -50.19 61.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -45.34 -50.96 11.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -50.12 -62.91 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.563 ' CE2' ' HG2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -45.0 -55.37 5.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.598 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 14.4 mt -44.51 -57.3 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.527 ' HA ' ' CE2' ' A' ' 73' ' ' TRP . 9.4 mtpm? -48.4 -61.44 2.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.484 ' O ' ' C ' ' A' ' 72' ' ' LEU . 22.0 mm-40 -44.87 -57.48 3.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 71' ' ' GLU . 27.8 tp -31.41 -75.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.598 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 13.2 p-90 -72.59 -54.61 8.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -36.05 -31.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' TRP . 1.8 t80 -86.79 -57.07 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -41.35 -42.32 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -57.05 -40.1 76.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -45.06 125.2 5.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 82' ' ' LYS . 21.7 mm-40 -43.71 -56.53 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 79' ' ' GLU . . . -33.99 -35.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 79' ' ' GLU . 50.0 t80 -65.98 -48.6 70.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 79' ' ' GLU . 34.6 mttp -65.56 -57.96 6.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.454 ' CG1' ' HA ' ' A' ' 80' ' ' ALA . 9.7 p -47.7 -38.96 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 85.1 m -91.01 165.29 13.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.0 p 43.48 35.27 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -44.13 120.89 2.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 m -148.48 119.8 7.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 158.83 143.22 3.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.493 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 97.03 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.293 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.0 t -84.32 144.02 29.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.6 t -48.49 97.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.545 -179.927 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -128.99 178.29 6.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.836 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 p -168.3 131.26 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.43 134.28 8.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -138.46 149.21 45.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -62.18 155.41 24.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.76 -163.08 0.7 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.443 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.525 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.7 Cg_endo -69.76 159.31 53.87 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.243 . . . . 0.0 112.329 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -83.05 103.56 12.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.548 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -54.26 110.35 2.06 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.624 0.726 . . . . 0.0 111.108 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.55 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.77 161.02 47.56 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.3 m -64.82 157.7 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.071 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 14' ' ' GLY . 82.4 p -92.54 153.96 18.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -34.5 -40.65 0.19 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.443 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.684 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 17.1 t80 -63.11 -67.13 0.45 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.925 0.393 . . . . 0.0 110.89 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.482 ' HA ' HD12 ' A' ' 19' ' ' LEU . 75.0 t -54.03 -49.18 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.097 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' VAL . 22.1 ttm-85 -34.86 -59.61 0.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -58.75 -43.07 90.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.684 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 85.4 mt -57.31 -41.31 79.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -68.24 -55.87 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -50.54 -46.64 57.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 25' ' ' GLN . 7.7 mmm180 -73.06 -42.02 63.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 22' ' ' ARG . 2.3 tmm_? -34.18 -54.31 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -51.9 -46.08 64.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' ARG . 14.5 mm-40 -53.05 -44.61 67.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 29' ' ' ARG . 34.4 mm -62.5 -61.86 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 26' ' ' ILE . 37.5 mmm-85 -34.39 -48.52 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.9 m -55.73 -44.43 77.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.2 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 26' ' ' ILE . 25.5 mtp180 -78.02 -57.68 3.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -107.23 74.68 0.41 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 121.663 0.744 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 29' ' ' ARG . 53.0 Cg_endo -69.81 -1.76 9.06 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -100.19 -24.16 14.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.584 HD22 ' HB3' ' A' ' 37' ' ' GLU . 9.0 mt -67.67 124.66 89.85 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.493 ' CG ' ' HG3' ' A' ' 37' ' ' GLU . 54.0 Cg_endo -69.71 -163.12 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.373 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.527 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.36 -58.71 2.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 0.0 110.865 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.2 Cg_endo -69.9 19.66 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.689 2.259 . . . . 0.0 112.313 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.584 ' HB3' HD22 ' A' ' 33' ' ' LEU . 8.2 mm-40 -126.49 -27.08 3.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.479 HG23 HG21 ' A' ' 26' ' ' ILE . 96.3 mt -84.61 -42.39 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.6 m -63.85 -45.61 88.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 41' ' ' MET . 10.8 ptmt -53.99 -30.69 48.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.422 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 31.1 mtm -74.87 -44.98 46.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.36 -45.62 90.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.37 -52.57 5.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.493 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.48 -39.43 48.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -66.95 -45.75 76.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.835 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.454 ' CE3' HD12 ' A' ' 49' ' ' LEU . 71.6 t-105 -54.97 -33.49 62.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 t -81.93 -24.71 35.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -99.79 18.64 17.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.454 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.1 mt -78.11 167.08 21.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -84.36 160.05 57.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.548 0.69 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 2.25 3.67 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.726 2.284 . . . . 0.0 112.352 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.53 -38.53 4.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -76.31 -54.64 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -50.98 -45.15 60.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -65.24 -43.87 89.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -54.73 -48.3 72.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -54.35 -44.27 72.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.007 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.5 mt -58.56 -52.59 65.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -58.21 -49.18 77.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -48.28 -50.14 31.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.73 -32.43 70.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -61.78 -56.0 24.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -53.81 -60.69 2.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 65' ' ' LYS . 74.9 mm-40 -48.54 -49.64 35.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' GLU . 26.4 tttp -33.78 -60.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.523 ' HA ' HD13 ' A' ' 69' ' ' LEU . 10.1 mm100 -37.66 -56.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.508 ' CD ' ' C ' ' A' ' 67' ' ' GLN . 5.6 tm0? -39.5 -41.25 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.55 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 0.2 OUTLIER -79.41 -34.95 41.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.554 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 4.7 mp -53.25 -51.47 62.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.887 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 1.8 tttp -55.5 -34.98 65.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -72.28 -2.83 20.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.475 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 46.4 tp -99.98 -56.76 2.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.554 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 10.6 p-90 -89.93 -56.38 3.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.887 ' HB3' ' O ' ' A' ' 70' ' ' LYS . . . -42.0 -36.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -75.68 -42.79 50.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.972 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.5 ' HG2' ' CE2' ' A' ' 81' ' ' TYR . 32.9 mt-30 -65.9 -14.64 61.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -93.96 -4.25 50.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.0 t -85.43 135.86 33.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 82' ' ' LYS . 26.8 tt0 -49.1 -49.8 40.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.52 ' HA ' HG12 ' A' ' 83' ' ' VAL . . . -37.83 -36.57 0.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.043 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.5 ' CE2' ' HG2' ' A' ' 76' ' ' GLN . 5.8 t80 -62.45 -45.19 94.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 79' ' ' GLU . 46.7 mtpt -70.91 -59.81 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.961 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 83' ' ' VAL . 9.3 p -49.76 114.54 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.6 m -156.59 170.25 22.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.0 p -99.04 112.69 24.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -105.69 104.55 14.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 79.9 p -155.25 166.59 33.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.79 83.31 0.32 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 90' ' ' SER . 53.9 Cg_endo -69.77 -33.11 17.2 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.637 2.224 . . . . 0.0 112.321 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 89' ' ' PRO . 58.6 p -37.56 125.31 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -75.08 122.03 22.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t -150.33 114.18 5.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -41.9 -58.48 2.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.75 87.24 0.61 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -150.16 119.89 7.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.905 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 m -60.94 166.73 3.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.08 -157.38 4.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.563 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 54.1 Cg_endo -69.76 130.21 18.95 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.653 2.235 . . . . 0.0 112.404 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -65.67 109.85 2.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.04 115.13 8.3 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.588 0.708 . . . . 0.0 111.08 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 142.25 47.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.645 2.23 . . . . 0.0 112.313 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.0 m -57.79 130.76 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.1 t -72.73 159.72 33.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -42.6 -37.14 2.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.614 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 17.0 t80 -61.34 -63.0 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.939 0.399 . . . . 0.0 110.932 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 19' ' ' LEU . 72.9 t -60.97 -51.93 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.102 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' VAL . 18.7 ttt180 -38.02 -45.28 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -70.89 -36.09 72.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.614 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 77.9 mt -69.35 -29.5 67.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.983 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -73.89 -39.73 63.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -72.39 -50.95 22.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.615 ' HB2' HD13 ' A' ' 42' ' ' LEU . 25.5 mmt-85 -62.0 -45.56 93.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.776 ' HD2' HG21 ' A' ' 38' ' ' ILE . 3.2 tpt180 -39.76 -30.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -76.78 -40.25 48.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 22' ' ' ARG . 6.1 mm100 -57.6 -37.75 73.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' ARG . 28.3 mm -70.05 -60.64 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.59 ' HG2' HD13 ' A' ' 38' ' ' ILE . 12.2 mmt180 -34.39 -43.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.9 m -57.9 -48.63 79.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' ILE . 5.5 mtt-85 -76.35 -52.89 9.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.765 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -107.51 76.48 0.53 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 29' ' ' ARG . 53.8 Cg_endo -69.73 -1.38 8.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -100.58 -22.6 14.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.567 HD22 ' HB3' ' A' ' 37' ' ' GLU . 8.7 mt -69.36 124.97 91.6 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.673 0.749 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.503 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.0 Cg_endo -69.74 -163.08 0.1 OUTLIER 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.687 2.258 . . . . 0.0 112.387 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.622 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.75 -58.7 2.64 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.61 0.719 . . . . 0.0 110.869 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.4 Cg_endo -69.85 19.33 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.567 ' HB3' HD22 ' A' ' 33' ' ' LEU . 25.3 mm-40 -125.68 -23.66 3.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.776 HG21 ' HD2' ' A' ' 23' ' ' ARG . 90.6 mt -90.89 -45.99 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.201 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.3 m -62.69 -41.21 98.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.196 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 41' ' ' MET . 12.9 ptmm? -55.38 -41.57 72.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.43 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 29.8 mtm -65.92 -42.24 90.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.615 HD13 ' HB2' ' A' ' 22' ' ' ARG . 30.5 mt -62.02 -38.68 89.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.34 -40.62 30.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.43 -31.52 72.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.298 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -70.75 -43.6 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.736 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.5 t-105 -46.84 -41.94 16.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.8 t -73.93 -24.34 59.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -89.15 -12.44 41.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.948 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.736 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.0 mt -49.32 162.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -79.3 159.32 72.84 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.593 0.711 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.04 3.88 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.361 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.82 -35.34 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -78.49 -50.46 11.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.513 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 23.6 tttt -54.35 -38.55 66.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -71.48 -47.85 52.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -53.62 -47.81 69.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -48.5 -42.29 32.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.6 mt -59.17 -58.5 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -53.23 -47.45 68.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -45.57 -50.5 13.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.53 -44.55 86.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -47.02 -58.66 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.422 ' HA ' ' NZ ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -39.95 -55.24 2.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.59 -44.28 96.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -40.36 -43.23 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -50.96 -48.44 60.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -53.16 -38.3 62.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.563 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -73.53 -41.54 62.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.824 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.2 mt -54.15 -68.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.521 ' HA ' ' CE2' ' A' ' 73' ' ' TRP . 22.8 pttt -39.01 -54.17 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.487 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 6.8 mm-40 -51.46 -54.05 30.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.479 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 4.9 tp -31.94 -65.18 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.521 ' CE2' ' HA ' ' A' ' 70' ' ' LYS . 7.8 p-90 -83.77 -55.77 4.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -33.51 -36.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 73' ' ' TRP . 3.6 t80 -84.64 -48.11 9.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.966 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 73' ' ' TRP . 30.8 mt-30 -38.98 -39.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -97.74 69.98 2.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.969 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.9 t -146.83 144.24 29.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -44.45 -42.94 7.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.92 -49.21 66.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -45.32 -39.08 6.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 83' ' ' VAL . 0.3 OUTLIER -83.84 -64.22 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 83' ' ' VAL . 7.8 p 32.56 40.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.1 m -140.86 173.3 11.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.725 HG23 ' O ' ' A' ' 85' ' ' THR . 9.2 t -108.97 86.52 2.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -118.92 166.76 12.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.3 t -114.82 156.67 24.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 177.26 -73.54 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.534 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 152.34 69.46 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.712 2.274 . . . . 0.0 112.406 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.1 m -145.86 162.59 37.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.4 p -52.34 128.56 25.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.782 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.477 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 p -119.11 135.35 54.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.93 0.395 . . . . 0.0 110.846 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -75.24 176.53 7.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.34 157.56 15.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.43 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 p -106.02 -49.32 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.393 . . . . 0.0 110.924 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 t -67.29 135.37 53.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.841 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.06 155.81 32.29 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.446 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.452 ' HG3' ' CA ' ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.83 142.21 47.02 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.587 2.191 . . . . 0.0 112.358 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -81.85 113.09 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.488 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -53.36 120.73 22.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.537 0.684 . . . . 0.0 111.169 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -167.87 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.243 . . . . 0.0 112.38 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.3 m -113.5 155.78 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' GLY . 69.2 p -91.77 149.52 21.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -37.5 -37.36 0.33 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.433 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.505 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 23.6 t80 -66.1 -50.66 63.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.935 0.398 . . . . 0.0 110.989 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' ARG . 16.4 t -69.85 -57.8 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.162 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' VAL . 30.6 ttt-85 -36.01 -48.36 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.805 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.53 -42.69 74.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.818 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.505 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 19.3 mt -54.82 -42.95 72.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -64.11 -60.9 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -40.31 -50.71 2.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.58 ' HB3' HD22 ' A' ' 42' ' ' LEU . 18.7 mmm180 -71.01 -45.83 63.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.564 ' HA ' HD11 ' A' ' 42' ' ' LEU . 2.7 tmm_? -37.03 -47.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -57.95 -48.97 78.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -51.95 -40.18 60.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.428 HG21 HG23 ' A' ' 38' ' ' ILE . 40.7 mm -68.41 -54.8 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.216 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -42.78 -37.64 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.808 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.8 m -66.62 -45.29 79.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -71.79 -55.27 7.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -117.86 81.35 15.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.599 0.714 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 -1.08 7.87 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.743 2.295 . . . . 0.0 112.282 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -99.34 -31.31 11.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.469 HD22 ' HB3' ' A' ' 37' ' ' GLU . 10.9 mt -53.15 118.48 14.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.661 0.743 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.494 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.7 Cg_endo -69.76 163.32 38.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.74 2.294 . . . . 0.0 112.306 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.528 ' N ' ' HD2' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -41.82 -58.03 3.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.636 0.731 . . . . 0.0 110.876 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.3 Cg_endo -69.73 19.48 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.382 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.494 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 11.0 mm-40 -130.8 -26.2 2.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.428 HG23 HG21 ' A' ' 26' ' ' ILE . 96.4 mt -84.87 -32.91 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.7 m -72.69 -45.58 58.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -49.9 -27.51 5.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 28.2 mtm -82.63 -43.95 16.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.58 HD22 ' HB3' ' A' ' 22' ' ' ARG . 87.4 mt -63.39 -45.96 88.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.68 -50.05 7.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.505 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.89 -39.34 58.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 111.049 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.33 -44.0 96.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.599 ' CE3' HD12 ' A' ' 49' ' ' LEU . 70.7 t-105 -56.06 -35.32 66.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.3 t -77.74 -32.08 52.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.817 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -94.17 20.9 7.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.599 HD12 ' CE3' ' A' ' 46' ' ' TRP . 10.7 mt -80.12 152.97 29.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.938 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -68.41 154.8 93.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.621 0.724 . . . . 0.0 110.952 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 4.04 2.41 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.22 -33.8 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -81.14 -54.06 5.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.494 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 6.8 tttp -48.55 -29.03 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -84.85 -47.59 10.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.416 ' C ' ' HD2' ' A' ' 56' ' ' ARG . 0.9 OUTLIER -54.97 -32.04 61.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -65.96 -46.72 77.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.1 mt -54.81 -49.4 71.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 62' ' ' GLU . 40.3 t0 -59.17 -59.4 5.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 59' ' ' ASP . 6.1 mm-40 -35.9 -47.82 0.54 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.98 -44.0 90.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' ASP . 27.0 mt-10 -51.47 -57.17 9.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -39.26 -50.74 1.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.09 -47.49 85.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -43.38 -52.15 6.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -54.65 -32.67 59.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -75.89 -46.57 29.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.488 ' CE2' ' HA ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -66.67 -20.91 66.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.596 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 13.2 mt -71.3 -54.98 8.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.885 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 15.3 ptmt -60.79 -23.55 65.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 8' ' ' PRO . 22.4 mm-40 -82.39 0.85 40.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.452 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 20.6 tp -101.66 -43.61 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 5.0 p-90 -101.02 -56.92 2.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.885 ' HB3' ' O ' ' A' ' 70' ' ' LYS . . . -43.12 -23.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.082 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.413 ' N ' ' C ' ' A' ' 73' ' ' TRP . 2.9 t80 -91.85 -49.62 6.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.474 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 52.6 mt-30 -54.63 -52.64 61.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -88.67 69.1 8.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.8 p -145.6 155.54 43.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -50.09 -38.63 39.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.562 ' HA ' HG12 ' A' ' 83' ' ' VAL . . . -60.11 -40.47 89.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.474 ' CG ' ' O ' ' A' ' 76' ' ' GLN . 55.6 t80 -60.24 -43.97 95.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -73.39 -59.11 2.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 83' ' ' VAL . 8.3 p -52.48 118.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.8 t -168.33 170.83 9.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.9 t -90.63 129.31 36.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -173.62 167.74 4.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -53.31 127.08 23.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.57 146.63 37.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.488 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -167.54 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.631 2.221 . . . . 0.0 112.389 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.2 t -66.33 -41.23 89.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 55.9 m -90.64 -65.17 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.556 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -166.51 131.54 2.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.88 0.371 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -60.7 -53.83 52.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.9 132.64 11.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.1 p -109.35 92.06 3.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.901 0.381 . . . . 0.0 110.79 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -110.29 107.66 17.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.07 -174.86 3.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.477 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.509 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.8 Cg_endo -69.81 156.82 62.25 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.703 2.269 . . . . 0.0 112.326 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.3 tptp -95.83 111.76 23.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.491 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -50.34 112.64 2.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.631 0.729 . . . . 0.0 111.056 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.507 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 54.0 Cg_endo -69.8 135.1 29.51 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.5 m -46.49 149.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 14' ' ' GLY . 58.6 p -88.76 146.92 24.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.077 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.449 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -35.4 -34.88 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.497 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 23.8 t80 -71.0 -48.28 54.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.982 0.42 . . . . 0.0 110.964 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.5 HG12 ' OD1' ' A' ' 20' ' ' ASN . 87.3 t -68.67 -51.63 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.149 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.9 ttt85 -40.3 -52.28 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.439 ' CE2' ' HG3' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -61.39 -36.36 80.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.497 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 84.6 mt -67.1 -42.97 83.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.5 ' OD1' HG12 ' A' ' 16' ' ' VAL . 7.2 m120 -64.47 -53.05 54.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -55.87 -51.04 68.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.439 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 4.5 mmp_? -64.28 -44.36 91.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' ARG . 5.9 tmm_? -35.78 -54.21 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -45.76 -54.13 8.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.426 ' HG3' ' NH2' ' A' ' 22' ' ' ARG . 29.1 mm100 -47.28 -42.26 20.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.677 HG21 HG23 ' A' ' 38' ' ' ILE . 38.1 mm -67.01 -54.75 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -42.33 -35.9 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.811 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 98.5 m -67.51 -36.99 82.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' ILE . 10.8 mtp85 -80.99 -55.53 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.852 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -120.48 80.5 30.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.512 0.672 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -0.58 7.13 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.262 . . . . 0.0 112.352 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -101.16 -15.94 17.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 33' ' ' LEU . 8.7 mt -69.67 119.04 68.5 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.584 0.707 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.494 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.6 Cg_endo -69.74 163.98 36.23 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.638 2.225 . . . . 0.0 112.376 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.612 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -42.19 -58.08 3.8 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.846 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.1 Cg_endo -69.68 19.28 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.494 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 3.5 mm-40 -130.71 -22.1 2.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.677 HG23 HG21 ' A' ' 26' ' ' ILE . 87.9 mt -92.27 -37.41 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.17 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 m -68.8 -43.72 75.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.2 pttp -53.07 -29.69 31.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 40.7 mtm -78.08 -45.92 22.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.428 HD21 ' CG1' ' A' ' 26' ' ' ILE . 39.3 mt -63.84 -46.58 84.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.7 -48.07 6.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.513 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.46 -33.41 63.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.694 0.283 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -72.27 -40.36 67.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.632 ' CE3' HD12 ' A' ' 49' ' ' LEU . 57.9 t-105 -53.79 -37.61 63.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.9 t -75.23 -27.28 59.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -97.29 12.0 34.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.632 HD12 ' CE3' ' A' ' 46' ' ' TRP . 10.9 mt -70.86 153.79 42.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -67.95 154.67 93.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.658 0.742 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 3.31 2.81 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.699 2.266 . . . . 0.0 112.383 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.98 -33.72 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -80.11 -53.72 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.575 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 14.7 tttt -50.98 -40.76 58.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -70.91 -42.24 70.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -60.96 -33.85 73.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -64.83 -44.12 90.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 38.9 mt -56.3 -50.9 70.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -60.66 -51.67 68.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -41.38 -46.18 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.449 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -75.69 -41.75 52.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -52.97 -55.26 24.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -40.46 -43.22 1.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -75.52 -41.11 56.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -48.57 -45.07 37.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -61.26 -36.26 79.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -72.27 -47.44 50.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.509 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -61.1 -40.94 95.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.554 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 17.1 mt -51.26 -60.02 3.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.966 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.838 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 19.3 pttt -56.13 -27.83 55.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -79.1 7.14 7.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.478 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 44.0 tp -111.59 -45.69 3.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.554 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 4.9 p-90 -99.49 -50.7 4.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.989 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.838 ' HB3' ' O ' ' A' ' 70' ' ' LYS . . . -49.56 -18.81 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -100.29 -28.51 12.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -73.6 -16.96 61.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -112.22 36.34 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 59.2 p -104.33 149.0 25.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -56.82 -29.09 62.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.89 82.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -48.55 -42.85 34.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -83.88 -68.13 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.702 ' O ' HG22 ' A' ' 83' ' ' VAL . 10.0 p 40.51 38.26 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.9 t -107.28 131.91 53.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 53.7 p -114.43 -47.92 2.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -60.12 105.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.8 m 61.76 42.81 10.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.806 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -147.2 152.7 24.81 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 101.52 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.753 2.302 . . . . 0.0 112.325 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 82.7 p -95.3 172.13 8.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.6 p -92.11 134.85 34.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.6 p -88.7 116.24 26.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 p -93.91 -54.27 3.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.856 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.24 91.14 0.76 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 t -47.94 102.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.793 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -170.9 113.04 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.8 -165.07 52.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.573 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.564 ' HB2' ' CD1' ' A' ' 68' ' ' TYR . 53.1 Cg_endo -69.83 145.86 58.0 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -87.19 112.35 21.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.479 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . . . -47.4 110.79 1.42 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.622 0.725 . . . . 0.0 111.103 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.598 ' HD3' ' CD1' ' A' ' 68' ' ' TYR . 53.4 Cg_endo -69.81 169.03 19.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.735 2.29 . . . . 0.0 112.299 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.1 m -93.1 131.49 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.1 t -74.87 159.0 32.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -38.87 -36.04 0.43 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.54 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -63.7 -61.79 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.41 . . . . 0.0 110.897 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 19' ' ' LEU . 94.3 t -62.29 -54.43 34.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' VAL . 13.1 ttt-85 -34.96 -55.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.545 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -64.18 -37.46 87.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.809 -179.874 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' VAL . 10.2 mt -62.26 -37.4 85.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -67.51 -57.34 6.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -51.94 -51.09 59.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.635 ' HB3' HD22 ' A' ' 42' ' ' LEU . 20.2 mmt180 -64.57 -48.36 75.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.603 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -36.31 -57.68 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -49.15 -48.25 45.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -52.97 -36.38 60.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.617 HG21 HG23 ' A' ' 38' ' ' ILE . 44.2 mm -71.09 -53.7 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.2 mmm-85 -42.12 -39.73 2.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.7 m -63.52 -44.36 94.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.169 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -72.51 -54.51 9.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -120.71 81.47 33.19 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.644 0.735 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -0.63 7.26 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -100.05 -26.71 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.448 HD22 ' HB3' ' A' ' 37' ' ' GLU . 8.9 mt -58.5 118.42 28.01 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.577 0.703 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.498 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.3 Cg_endo -69.72 163.99 36.17 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -42.2 -58.1 3.78 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.683 0.754 . . . . 0.0 110.91 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.3 Cg_endo -69.74 19.48 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.703 2.269 . . . . 0.0 112.343 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.498 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 5.5 mm-40 -130.98 -23.74 2.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.617 HG23 HG21 ' A' ' 26' ' ' ILE . 94.7 mt -89.98 -34.15 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.0 m -72.7 -42.77 63.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -54.28 -28.61 43.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.873 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.2 mtm -79.19 -47.77 15.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.635 HD22 ' HB3' ' A' ' 22' ' ' ARG . 88.2 mt -59.88 -49.23 78.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.57 -59.32 1.97 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.527 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.91 -43.24 18.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.712 0.292 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -60.31 -40.46 90.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.595 ' CE3' HD12 ' A' ' 49' ' ' LEU . 52.8 t-105 -59.04 -45.7 90.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.3 m -70.81 -20.87 62.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -99.57 10.13 41.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.595 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.0 mt -68.26 168.58 12.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -87.06 159.86 50.41 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 2.6 3.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.769 2.312 . . . . 0.0 112.362 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.89 -38.02 4.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -76.26 -53.54 8.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.537 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 21.5 tttt -50.67 -42.15 56.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -67.86 -40.58 83.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 17.5 ttm-85 -59.21 -28.42 66.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -81.52 -42.4 20.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.2 mt -63.65 -30.4 71.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -88.28 -33.17 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 16.5 mm-40 -65.32 -19.72 66.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.96 -42.84 6.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -54.31 -28.79 44.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -75.22 -30.88 60.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -81.6 -25.56 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -71.35 -33.57 69.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -61.17 -39.88 91.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -74.5 -38.44 62.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.598 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 1.9 t80 -62.06 -41.46 98.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.546 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 30.5 mt -55.5 -55.59 30.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.715 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 38.1 mtpt -53.39 -41.81 66.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.431 ' CB ' ' HB3' ' A' ' 8' ' ' PRO . 56.5 mm-40 -60.2 -13.32 11.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.455 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 21.5 tp -90.76 -53.38 4.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.546 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 8.9 p-90 -94.83 -51.31 4.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 70' ' ' LYS . . . -48.43 -19.46 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -97.37 -38.54 9.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -66.4 -5.16 9.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -127.81 53.5 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.978 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.1 m -122.09 152.68 39.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -50.4 -27.94 7.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.815 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.78 -49.78 19.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -43.23 -36.0 1.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 83' ' ' VAL . 90.2 mttt -88.23 -61.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 83' ' ' VAL . 8.6 p 32.04 38.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 82' ' ' LYS . 1.9 m -141.47 142.22 33.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.5 p -114.06 155.42 25.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -140.38 135.87 32.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.9 p -43.3 125.85 3.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -126.35 -166.34 12.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.521 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -15.84 37.18 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.0 t -43.11 130.2 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.81 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.2 m -83.04 143.37 30.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.505 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.407 -0.277 . . . . 0.0 112.407 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -84.56 96.13 9.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 110.824 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.6 p -88.2 158.95 18.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.26 -120.08 8.25 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 m 52.98 47.22 25.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.894 0.378 . . . . 0.0 110.914 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -113.67 116.74 29.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.42 -152.46 7.01 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.56 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.495 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.2 Cg_endo -69.86 147.59 62.57 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.662 2.242 . . . . 0.0 112.252 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -89.58 109.88 20.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -45.7 113.36 1.97 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.589 0.709 . . . . 0.0 111.1 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.496 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 54.4 Cg_endo -69.78 163.07 39.65 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.723 2.282 . . . . 0.0 112.325 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.6 m -79.13 153.65 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.6 p -93.08 158.8 15.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.401 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -37.86 -40.14 0.73 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.691 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 17.9 t80 -66.59 -58.73 4.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.855 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.625 ' HA ' HD12 ' A' ' 19' ' ' LEU . 84.0 t -59.24 -57.98 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' VAL . 18.0 ttt85 -36.02 -55.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.533 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -58.72 -38.81 79.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.691 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 15.4 mt -66.51 -28.37 68.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -81.03 -40.62 23.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -69.06 -48.5 62.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.741 ' HB3' HD22 ' A' ' 42' ' ' LEU . 25.4 mmt180 -63.38 -46.54 86.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.597 ' HA ' HD11 ' A' ' 42' ' ' LEU . 19.9 ttp85 -35.98 -57.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' ARG . 7.0 tt0 -36.42 -52.99 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -50.56 -41.53 54.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.627 HG21 HG23 ' A' ' 38' ' ' ILE . 40.8 mm -67.09 -60.51 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' ILE . 11.8 mmm180 -35.04 -42.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 m -61.16 -50.92 71.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -68.87 -52.87 25.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -119.08 79.7 18.33 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.655 0.741 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.88 -0.84 7.6 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.309 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -99.75 -32.87 10.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 37' ' ' GLU . 8.9 mt -53.43 119.08 16.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.586 0.708 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.502 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.4 Cg_endo -69.79 163.61 37.65 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.538 ' N ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -41.95 -58.03 3.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.639 0.733 . . . . 0.0 110.882 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.0 Cg_endo -69.73 19.34 0.18 Allowed 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.774 2.316 . . . . 0.0 112.33 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.502 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 2.9 mm-40 -130.94 -18.71 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.627 HG23 HG21 ' A' ' 26' ' ' ILE . 93.8 mt -95.91 -33.23 4.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.5 m -72.67 -40.62 66.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 41' ' ' MET . 0.0 OUTLIER -54.85 -31.19 59.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.433 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 40.6 mtm -78.73 -53.29 7.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.741 HD22 ' HB3' ' A' ' 22' ' ' ARG . 66.4 mt -51.64 -47.17 63.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -35.66 -55.84 1.03 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.07 -44.03 15.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -59.62 -43.83 93.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.477 ' CE3' HD12 ' A' ' 49' ' ' LEU . 65.4 t-105 -55.25 -40.6 71.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.5 t -77.47 -26.18 51.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -94.38 11.16 31.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.477 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.7 mt -70.92 178.72 3.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -93.78 160.58 32.35 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 1.72 4.15 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.378 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.5 -39.57 3.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -73.34 -53.88 9.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.427 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 24.2 tttt -51.5 -42.21 61.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -69.45 -51.32 37.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.3 ttm-85 -49.8 -47.04 51.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -50.65 -44.75 57.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 33.3 mt -56.44 -55.14 37.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -57.71 -51.57 69.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -47.07 -48.6 22.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.401 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -63.3 -54.54 35.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 63' ' ' LYS . 13.4 mm-40 -40.04 -52.26 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 62' ' ' GLU . 38.0 mtmt -36.24 -49.08 0.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -58.77 -49.72 76.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -42.84 -33.1 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -67.54 -66.43 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -53.9 -34.31 59.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.496 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 0.6 OUTLIER -71.98 -38.65 69.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.483 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 4.8 mt -53.78 -61.26 2.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.78 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 4.7 pttm -56.37 -32.73 65.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 30.8 mt-10 -67.01 -6.95 19.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.468 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 28.1 tp -97.37 -48.64 5.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.508 ' CE2' ' HA ' ' A' ' 70' ' ' LYS . 5.8 p-90 -98.27 -54.56 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.78 ' HB3' ' O ' ' A' ' 70' ' ' LYS . . . -43.25 -25.44 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.055 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -88.37 -50.28 6.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.908 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.407 ' HG2' ' CZ ' ' A' ' 81' ' ' TYR . 56.5 mt-30 -48.95 -35.93 16.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -52.18 -44.52 64.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.4 t -39.26 141.2 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 12.6 pt-20 -59.5 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.589 ' HA ' HG12 ' A' ' 83' ' ' VAL . . . -42.73 -38.06 1.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.083 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.407 ' CZ ' ' HG2' ' A' ' 76' ' ' GLN . 50.3 t80 -55.74 -49.32 73.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -72.82 -64.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.589 HG12 ' HA ' ' A' ' 80' ' ' ALA . 9.4 p -48.42 130.42 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.085 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 25.7 p -170.45 -178.96 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.566 HG23 ' HG3' ' A' ' 86' ' ' GLU . 12.2 t -43.61 145.75 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.566 ' HG3' HG23 ' A' ' 85' ' ' THR . 1.4 pp20? 33.0 51.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 86' ' ' GLU . 50.9 m -35.01 149.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -83.19 141.84 20.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.455 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 97.72 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.665 2.244 . . . . 0.0 112.33 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.3 m -128.9 136.7 50.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.0 p -171.51 164.04 6.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.528 -179.955 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.2 p -168.48 129.86 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.861 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.7 m -72.26 153.93 41.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.817 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.02 -41.3 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.55 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -62.17 160.59 12.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.95 0.405 . . . . 0.0 110.829 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -88.29 -35.29 17.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.787 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.52 -171.78 27.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.562 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 52.7 Cg_endo -69.75 130.48 19.43 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.709 2.272 . . . . 0.0 112.309 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -61.99 102.79 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.23 110.37 1.64 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.563 0.697 . . . . 0.0 111.091 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 132.96 24.38 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.314 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.879 HG23 ' HG3' ' A' ' 17' ' ' ARG . 27.8 m -54.84 147.67 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.5 p -76.45 169.33 18.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.74 -36.29 85.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -62.24 -36.85 83.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.017 0.437 . . . . 0.0 110.952 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.516 HG12 ' OD1' ' A' ' 20' ' ' ASN . 67.9 t -81.89 -48.72 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.166 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.879 ' HG3' HG23 ' A' ' 12' ' ' VAL . 44.0 mtt-85 -41.34 -31.66 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.6 OUTLIER -83.62 -36.21 24.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 16' ' ' VAL . 91.4 mt -69.95 -30.17 67.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.516 ' OD1' HG12 ' A' ' 16' ' ' VAL . 4.7 m120 -70.3 -60.63 2.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.9 -47.14 77.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.643 ' HB3' HD22 ' A' ' 42' ' ' LEU . 33.0 mmt180 -63.79 -47.74 79.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.922 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.511 ' HA ' HD11 ' A' ' 42' ' ' LEU . 1.5 tpt180 -45.04 -24.28 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -82.28 -51.26 8.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -47.42 -36.89 10.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 29' ' ' ARG . 14.0 mm -70.47 -57.86 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' ILE . 9.2 mmt85 -37.24 -39.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.5 m -65.0 -44.26 89.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' ILE . 50.4 mtt180 -77.81 -54.72 6.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -108.3 80.31 1.1 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.65 0.738 . . . . 0.0 110.834 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -1.79 9.04 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.91 -19.05 16.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 37' ' ' GLU . 7.8 mt -73.21 120.58 81.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.638 0.732 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.5 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.1 Cg_endo -69.74 -162.86 0.1 OUTLIER 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.617 2.212 . . . . 0.0 112.334 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.629 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -73.68 -58.64 2.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.846 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.4 Cg_endo -69.75 19.6 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.319 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.528 ' HB3' HD22 ' A' ' 33' ' ' LEU . 19.9 mm-40 -124.64 -22.5 4.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.7 mt -93.02 -50.35 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.059 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 m -56.62 -28.2 59.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 41' ' ' MET . 0.0 OUTLIER -70.86 -36.77 72.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.466 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 33.7 mtm -70.03 -52.2 26.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' A' ' 22' ' ' ARG . 23.3 mt -53.48 -42.32 67.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.94 -56.17 3.22 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.456 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.69 -40.25 59.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.773 0.32 . . . . 0.0 111.092 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -61.96 -48.18 81.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.753 ' CE3' HD12 ' A' ' 49' ' ' LEU . 57.8 t-105 -48.42 -39.77 23.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.2 t -75.99 -21.73 56.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -94.66 -3.3 49.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.753 HD12 ' CE3' ' A' ' 46' ' ' TRP . 11.5 mt -57.78 158.51 6.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -74.8 157.29 85.92 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.572 0.701 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 1.29 4.52 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.7 2.266 . . . . 0.0 112.415 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.27 -31.99 6.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -84.19 -52.83 5.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.477 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 24.1 tttm -50.12 -41.27 48.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -67.21 -45.28 77.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.5 ttt-85 -52.43 -46.3 66.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -54.92 -33.8 62.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.1 mt -67.01 -56.03 11.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -59.53 -54.94 40.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -40.15 -52.82 2.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.28 -39.88 80.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.22 -58.79 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -41.48 -34.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -79.09 -45.29 20.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -46.55 -33.72 4.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -52.21 -47.98 65.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.406 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -58.75 -47.82 83.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.562 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -59.02 -42.45 90.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.854 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 70' ' ' LYS . 13.1 mt -53.37 -73.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.518 ' HA ' ' CE2' ' A' ' 73' ' ' TRP . 6.2 ptpt -35.02 -55.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 72' ' ' LEU . 35.3 mm-40 -51.42 -53.45 36.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.48 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 6.7 tp -32.55 -64.95 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.518 ' CE2' ' HA ' ' A' ' 70' ' ' LYS . 7.8 p-90 -84.1 -55.24 4.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -33.77 -36.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' A' ' 73' ' ' TRP . 3.3 t80 -82.59 -52.82 6.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.46 ' HG2' ' CZ ' ' A' ' 81' ' ' TYR . 47.8 mt-30 -40.75 -40.6 1.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -49.94 -42.73 49.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -49.7 137.82 15.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -56.32 -41.14 75.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.489 ' HA ' HG12 ' A' ' 83' ' ' VAL . . . -48.45 -21.9 0.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.46 ' CZ ' ' HG2' ' A' ' 76' ' ' GLN . 41.9 t80 -70.73 -51.71 25.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.988 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -67.49 -56.38 9.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 83' ' ' VAL . 4.6 p -52.22 120.98 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.084 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 21.5 p -174.79 178.22 1.9 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.5 t -145.35 146.32 31.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.07 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -69.3 159.7 32.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.963 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 81.1 p -144.75 171.74 13.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.46 -157.83 15.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.462 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -176.78 1.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.622 2.215 . . . . 0.0 112.377 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.1 p -62.79 151.08 39.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.5 t -54.28 103.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -120.74 160.5 23.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 p -80.93 110.29 16.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.88 75.67 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 p -142.57 132.61 24.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -174.94 145.24 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.44 173.63 49.24 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.57 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.4 Cg_endo -69.75 145.38 57.06 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.353 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -85.77 111.97 20.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.21 114.58 5.07 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.574 0.702 . . . . 0.0 111.074 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 172.51 12.5 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.0 m -93.21 168.43 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 14' ' ' GLY . 78.9 p -95.38 146.48 24.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -35.57 -37.44 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.552 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.521 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 9.4 t80 -64.15 -54.54 32.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 110.906 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.841 ' HA ' HD12 ' A' ' 19' ' ' LEU . 92.0 t -66.94 -46.73 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 60' ' ' GLU . 6.6 ttp180 -41.74 -52.47 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.491 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 1.5 t80 -60.09 -40.91 91.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.841 HD12 ' HA ' ' A' ' 16' ' ' VAL . 24.6 mt -61.56 -41.56 97.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -67.3 -32.38 73.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -70.2 -48.65 56.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.504 ' CB ' HD22 ' A' ' 42' ' ' LEU . 3.0 mmp_? -70.79 -35.58 72.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -38.85 -25.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 22' ' ' ARG . 6.0 tp10 -80.91 -53.99 5.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.412 ' OE1' ' NH1' ' A' ' 22' ' ' ARG . 6.0 pt20 -54.08 -37.43 64.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.724 HG21 HG23 ' A' ' 38' ' ' ILE . 40.8 mm -69.72 -39.83 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.9 mmm-85 -58.29 -54.45 46.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.8 m -46.42 -45.59 18.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 -72.24 -60.85 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -110.89 79.24 1.81 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.588 0.708 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -1.53 8.58 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.762 2.308 . . . . 0.0 112.383 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -100.37 -19.2 16.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 33' ' ' LEU . 8.9 mt -67.85 116.64 40.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.615 0.721 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.496 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.2 Cg_endo -69.7 163.97 36.21 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.751 2.301 . . . . 0.0 112.329 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.596 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -42.34 -58.0 3.98 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.6 0.714 . . . . 0.0 110.86 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.5 Cg_endo -69.76 19.35 0.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.697 2.264 . . . . 0.0 112.383 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.496 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 13.0 mm-40 -130.81 -24.44 2.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.724 HG23 HG21 ' A' ' 26' ' ' ILE . 96.4 mt -88.64 -38.51 11.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 m -66.73 -45.02 80.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 41' ' ' MET . 12.7 ptmt -51.91 -32.19 31.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.433 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 40.9 mtm -75.7 -42.86 49.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.504 HD22 ' CB ' ' A' ' 22' ' ' ARG . 68.8 mt -66.25 -42.03 89.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -47.76 -23.06 2.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.541 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.4 -36.61 29.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.72 0.295 . . . . 0.0 111.064 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -63.85 -41.17 97.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.597 ' CE3' HD12 ' A' ' 49' ' ' LEU . 71.5 t-105 -52.59 -42.77 64.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.9 t -73.38 -26.18 60.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.892 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -100.11 13.08 35.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.597 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.0 mt -72.94 159.84 33.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -74.73 157.34 85.98 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 0.0 110.949 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 0.65 5.34 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.297 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.88 -33.89 6.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -80.36 -53.77 6.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.567 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 15.2 tttt -52.13 -41.92 62.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -68.99 -49.0 61.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.983 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -54.12 -38.79 65.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -59.53 -36.1 75.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.9 mt -65.77 -59.98 3.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.98 -51.03 71.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' HB3' ' NH1' ' A' ' 17' ' ' ARG . 4.2 mm-40 -46.2 -56.5 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.24 -51.84 65.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.061 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -43.22 -53.52 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.793 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.408 ' HA ' ' CE ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -42.49 -40.41 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -66.16 -42.64 88.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.824 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -51.47 -52.68 44.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.805 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -45.78 -43.94 13.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.71 -54.09 50.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.57 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -53.74 -42.23 67.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.894 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 11.0 mt -54.07 -57.25 11.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HA ' ' CE2' ' A' ' 73' ' ' TRP . 14.6 mptt -48.86 -59.3 3.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 72' ' ' LEU . 6.6 mm-40 -43.7 -57.73 3.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.488 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 8.8 tp -31.88 -74.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.514 ' CE2' ' HA ' ' A' ' 70' ' ' LYS . 12.7 p-90 -74.88 -55.59 5.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -33.19 -35.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.045 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 73' ' ' TRP . 2.6 t80 -85.22 -49.31 8.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -44.67 -30.39 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -71.53 -36.6 71.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 75' ' ' TYR . 23.2 t -40.0 134.19 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -55.71 -46.75 77.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -45.26 -33.11 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -71.02 -45.2 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -71.37 -54.71 9.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 84' ' ' CYS . 12.6 p -44.26 -44.04 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.051 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.497 ' N ' HG13 ' A' ' 83' ' ' VAL . 9.9 m -61.46 166.02 4.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.6 HG23 ' O ' ' A' ' 85' ' ' THR . 14.2 t -50.72 115.97 1.73 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -172.67 130.92 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.8 t -42.47 126.53 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -132.43 82.08 0.31 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -37.97 8.44 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.5 m -44.04 116.19 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.815 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.9 m -60.09 -61.5 2.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.541 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.235 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -129.82 153.23 48.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.834 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 t -163.79 110.74 1.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.79 63.77 0.18 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.439 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.1 p -138.94 156.77 46.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -79.95 162.95 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.34 -157.84 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.571 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.7 Cg_endo -69.71 158.74 55.99 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.71 2.273 . . . . 0.0 112.356 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' C ' ' CE2' ' A' ' 68' ' ' TYR . 16.9 ttpp -92.62 109.53 20.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.522 ' N ' ' CE2' ' A' ' 68' ' ' TYR . . . -57.27 109.65 1.89 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.584 0.707 . . . . 0.0 111.085 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 10' ' ' ALA . 53.8 Cg_endo -69.72 -170.94 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.394 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.5 m -99.62 137.48 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 13' ' ' THR . 2.0 t -87.58 168.69 12.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.413 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -44.89 -20.67 0.24 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.517 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 18.0 t80 -78.55 -69.83 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.917 0.389 . . . . 0.0 110.935 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.699 ' HA ' HD12 ' A' ' 19' ' ' LEU . 95.9 t -57.77 -37.82 61.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.063 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.4 ttt-85 -53.94 -40.11 66.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.515 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -82.34 -27.13 32.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.902 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 16' ' ' VAL . 65.1 mt -65.45 -44.38 87.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -68.07 -48.52 65.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -51.93 -50.22 61.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.559 ' HB3' HD22 ' A' ' 42' ' ' LEU . 15.4 mmm180 -73.56 -42.65 61.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' HD2' HG21 ' A' ' 38' ' ' ILE . 7.1 tpt85 -40.66 -25.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 22' ' ' ARG . 7.8 tt0 -81.18 -55.32 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -46.42 -35.89 5.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.8 mm -69.53 -54.17 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.072 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -42.11 -36.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.0 m -66.82 -44.05 82.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.171 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -76.22 -54.39 6.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -109.0 80.98 1.41 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.561 0.696 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.85 -1.17 8.1 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.738 2.292 . . . . 0.0 112.288 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -100.08 -23.67 14.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.485 HD22 ' HB3' ' A' ' 37' ' ' GLU . 7.0 mt -69.07 119.52 70.52 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.605 0.717 . . . . 0.0 110.952 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.49 ' CG ' ' HG3' ' A' ' 37' ' ' GLU . 52.9 Cg_endo -69.8 -163.17 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.576 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.74 -58.63 2.68 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.588 0.708 . . . . 0.0 110.917 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.1 Cg_endo -69.78 19.6 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.65 2.233 . . . . 0.0 112.352 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.49 ' HG3' ' CG ' ' A' ' 34' ' ' PRO . 6.6 mm-40 -124.79 -22.73 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.401 HG21 ' HD2' ' A' ' 23' ' ' ARG . 56.9 mt -92.9 -50.59 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 m -55.23 -26.68 41.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 41' ' ' MET . 8.7 ptmt -72.57 -34.62 67.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.446 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 44.1 mtm -71.49 -51.32 24.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.559 HD22 ' HB3' ' A' ' 22' ' ' ARG . 72.3 mt -51.2 -48.49 61.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -38.31 -43.18 1.42 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.441 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.17 -35.99 80.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.738 0.304 . . . . 0.0 111.083 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 42' ' ' LEU . 16.8 mt-10 -65.18 -44.12 89.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.642 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.6 t-105 -48.64 -38.93 22.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.6 t -77.41 -32.46 54.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -89.74 14.93 10.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.642 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.4 mt -74.47 165.47 25.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -81.59 158.03 69.06 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.537 0.684 . . . . 0.0 110.978 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 2.17 3.77 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.704 2.269 . . . . 0.0 112.304 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.51 -37.13 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -77.67 -54.4 6.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.521 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 21.9 tttt -53.55 -46.89 70.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -63.71 -37.31 86.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -67.05 -39.34 86.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -60.54 -44.71 95.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.7 mt -57.04 -49.4 75.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -62.16 -53.05 60.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -48.99 -55.08 13.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.793 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.413 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -60.81 -45.48 94.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' LYS . 14.2 mt-10 -45.7 -54.95 7.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -42.26 -34.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -90.95 -24.54 20.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 62' ' ' GLU . 45.0 tttp -70.75 -42.15 70.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.873 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.2 pt20 -67.51 -43.33 81.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -54.44 -47.37 72.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.571 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -70.4 -38.24 74.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.821 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.873 HD12 ' HA ' ' A' ' 66' ' ' GLN . 9.2 mt -50.37 -61.94 1.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.81 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 20.2 ptmt -53.38 -28.36 28.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -77.81 8.57 4.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.474 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 40.6 tp -114.56 -43.38 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.475 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 5.1 p-90 -102.38 -50.47 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.81 ' HB3' ' O ' ' A' ' 70' ' ' LYS . . . -47.65 -21.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.056 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -93.37 -51.37 5.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -51.93 -42.93 63.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 74' ' ' ALA . 1.2 pp0? -58.61 -25.4 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.6 p -54.56 138.8 39.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -55.53 -41.76 73.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.53 -20.59 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -84.57 -43.16 14.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.97 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -71.84 -45.66 60.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.928 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 p -59.63 133.17 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.057 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 44.6 t -117.27 -73.23 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.5 p -128.33 165.39 20.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.092 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -58.84 124.09 18.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 56.5 p -130.76 177.13 7.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.63 166.12 14.2 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.448 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -176.98 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.338 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.2 m -127.93 145.12 51.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.799 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.2 t -83.14 110.8 18.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.408 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.243 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 m -93.33 -44.02 8.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 110.803 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 t -72.54 122.17 20.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.79 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.37 169.07 0.13 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.46 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -175.03 163.99 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -118.06 129.51 55.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.27 -152.87 20.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.549 ' HG2' ' CE2' ' A' ' 68' ' ' TYR . 53.3 Cg_endo -69.76 135.63 30.93 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.655 2.236 . . . . 0.0 112.346 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -67.5 95.45 0.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.62 122.28 15.88 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 0.0 111.118 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 161.35 46.25 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.737 2.291 . . . . 0.0 112.366 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.3 m -78.16 132.33 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 16' ' ' VAL . 38.4 p -57.95 138.39 55.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -36.53 -32.43 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.537 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.457 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 6.6 t80 -69.49 -43.2 73.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.62 ' HA ' HD12 ' A' ' 19' ' ' LEU . 74.9 t -73.5 -50.53 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 -39.16 -46.59 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -64.32 -41.78 96.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.62 HD12 ' HA ' ' A' ' 16' ' ' VAL . 65.7 mt -58.89 -49.93 75.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -60.23 -54.28 47.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -55.1 -45.46 75.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.541 ' HB3' HD22 ' A' ' 42' ' ' LEU . 31.0 mmt-85 -75.43 -26.02 57.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.542 ' HA ' HD11 ' A' ' 42' ' ' LEU . 16.6 ttm-85 -48.94 -59.7 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -39.77 -58.43 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -48.56 -36.22 15.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.677 ' CG1' HD21 ' A' ' 42' ' ' LEU . 43.4 mm -76.16 -40.98 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -61.03 -41.87 97.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.0 m -59.26 -43.2 92.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.9 mtt85 -73.4 -52.61 13.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -119.71 81.48 25.36 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.545 0.688 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.79 -0.72 7.34 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.623 2.215 . . . . 0.0 112.274 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -100.45 -29.9 12.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 37' ' ' GLU . 8.7 mt -53.67 117.07 11.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.629 0.728 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.508 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.5 Cg_endo -69.71 163.41 38.34 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.38 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.605 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -41.94 -57.97 3.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.622 0.725 . . . . 0.0 110.903 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.8 Cg_endo -69.72 19.27 0.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.739 2.293 . . . . 0.0 112.376 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.508 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 3.7 mm-40 -130.85 -20.34 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.602 HG23 HG21 ' A' ' 26' ' ' ILE . 96.9 mt -92.67 -32.37 4.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.6 m -73.46 -40.09 64.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -58.72 -28.1 65.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.8 mtm -80.02 -50.11 10.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.677 HD21 ' CG1' ' A' ' 26' ' ' ILE . 79.8 mt -65.39 -29.97 70.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.04 -50.96 61.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.32 -32.81 39.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.777 0.322 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -67.36 -43.94 80.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.669 ' CE3' HD12 ' A' ' 49' ' ' LEU . 71.7 t-105 -56.75 -40.72 76.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.5 t -72.48 -22.45 61.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.827 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -102.8 19.84 18.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.669 HD12 ' CE3' ' A' ' 46' ' ' TRP . 11.7 mt -79.11 160.43 27.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -78.76 159.39 74.06 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.568 0.699 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 2.03 3.94 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.313 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.29 -36.61 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -78.33 -54.37 6.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.516 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 6.9 tttp -48.74 -42.88 36.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.961 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.473 ' HA ' HD12 ' A' ' 58' ' ' LEU . 6.1 tp-100 -66.07 -46.34 78.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.7 ttm105 -53.23 -44.2 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -57.76 -45.8 85.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 55' ' ' GLN . 25.9 mt -57.36 -41.13 79.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -68.66 -47.08 67.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -48.59 -48.3 39.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.4 ' HB2' ' HA2' ' A' ' 14' ' ' GLY . . . -70.35 -46.95 63.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.056 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -48.31 -56.63 7.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -43.32 -46.7 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -60.5 -42.36 96.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 66' ' ' GLN . 31.7 tptt -47.1 -53.42 12.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 65' ' ' LYS . 10.9 mm100 -36.23 -51.95 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -55.84 -59.27 5.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.549 ' CE2' ' HG2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -50.41 -55.11 17.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.877 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.588 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 24.3 mt -45.64 -58.0 3.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.505 ' HA ' ' CE2' ' A' ' 73' ' ' TRP . 2.1 mmmm -48.19 -60.97 2.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' A' ' 72' ' ' LEU . 13.0 mm-40 -45.91 -56.86 4.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.483 ' C ' ' O ' ' A' ' 71' ' ' GLU . 5.2 tp -31.3 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 11.9 p-90 -72.47 -53.87 10.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -36.93 -29.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.051 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 73' ' ' TRP . 1.6 t80 -87.99 -47.35 8.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -48.64 -19.49 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 78' ' ' SER . 23.2 mt-30 -85.14 -40.22 16.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 77' ' ' GLN . 59.8 p -35.85 125.7 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 82' ' ' LYS . 9.1 pt-20 -47.16 -49.99 21.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.488 ' HA ' HG12 ' A' ' 83' ' ' VAL . . . -40.3 -31.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.065 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -67.63 -43.88 79.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 79' ' ' GLU . 15.6 mtpp -72.65 -58.62 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 80' ' ' ALA . 8.3 p -47.46 -35.32 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 21.5 m -79.51 146.02 32.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 85' ' ' THR . 5.4 m 62.84 36.84 12.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.18 166.82 15.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.2 t -120.36 162.76 18.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.443 ' N ' ' HD2' ' A' ' 89' ' ' PRO . . . -40.9 -61.65 1.9 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.443 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 53.9 Cg_endo -69.83 105.39 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.634 2.223 . . . . 0.0 112.313 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.1 m -111.57 144.47 40.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.6 m -120.17 167.8 11.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.826 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.521 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -98.98 -61.56 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.898 0.38 . . . . 0.0 110.886 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t 61.8 43.53 9.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.21 76.53 1.0 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 t -67.8 -51.75 45.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.92 0.39 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 m -128.67 153.73 47.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.61 -172.82 0.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.527 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.491 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.81 151.29 68.72 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.576 2.184 . . . . 0.0 112.388 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -93.67 109.75 21.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.39 110.51 1.03 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.537 0.684 . . . . 0.0 111.093 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.517 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.8 167.59 24.05 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.367 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.445 HG12 HG11 ' A' ' 16' ' ' VAL . 35.5 m -82.28 127.66 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 14' ' ' GLY . 6.5 t -82.14 162.47 22.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.467 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -34.84 -37.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.548 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.526 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 25.5 t80 -63.61 -60.98 2.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.371 . . . . 0.0 110.918 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.445 HG11 HG12 ' A' ' 12' ' ' VAL . 55.5 t -65.31 -52.18 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.1 ttt-85 -38.94 -44.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -73.74 -45.48 51.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.526 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 6.0 mt -52.01 -40.5 61.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -67.27 -64.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -41.67 -43.43 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.441 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 41.8 mmt-85 -78.62 -38.16 40.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.643 ' HA ' HD11 ' A' ' 42' ' ' LEU . 3.3 tmt_? -43.32 -39.51 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -63.77 -39.74 95.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -62.99 -35.79 81.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.598 HG21 HG23 ' A' ' 38' ' ' ILE . 31.4 mm -71.78 -37.54 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -68.51 -42.0 79.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 m -59.77 -37.05 77.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -82.2 -48.84 10.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -122.15 80.94 44.04 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.606 0.717 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -0.68 7.34 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -100.28 -26.21 13.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' A' ' 37' ' ' GLU . 8.8 mt -57.25 118.68 26.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.651 0.738 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.488 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.3 Cg_endo -69.72 163.62 37.54 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.72 2.28 . . . . 0.0 112.316 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.566 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -42.09 -57.95 3.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.607 0.718 . . . . 0.0 110.807 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.3 Cg_endo -69.87 19.34 0.19 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.488 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 11.1 mm-40 -130.57 -20.32 2.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.598 HG23 HG21 ' A' ' 26' ' ' ILE . 99.3 mt -93.14 -36.0 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.9 m -71.57 -37.98 71.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -32.95 70.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.527 ' HE3' HD12 ' A' ' 26' ' ' ILE . 25.8 mtm -77.42 -32.65 54.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.643 HD11 ' HA ' ' A' ' 23' ' ' ARG . 72.6 mt -77.21 -61.08 2.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -38.91 -40.38 1.07 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.466 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.84 -38.75 92.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.672 0.272 . . . . 0.0 111.084 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' LEU . 31.0 mm-40 -63.84 -44.64 92.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.568 ' CE3' HD12 ' A' ' 49' ' ' LEU . 60.8 t-105 -44.96 -40.93 6.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.7 t -74.1 -28.89 61.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.823 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -89.25 16.47 7.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.568 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.0 mt -77.94 160.84 27.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.977 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -78.65 159.05 75.04 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.555 0.693 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 2.04 3.92 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.691 2.26 . . . . 0.0 112.308 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.65 -37.6 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -76.61 -55.15 5.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.488 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 6.0 tttp -48.6 -47.16 40.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -61.79 -49.47 76.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -50.51 -56.42 11.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -44.74 -57.37 3.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 28.5 mt -48.31 -39.65 22.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -78.64 -25.95 45.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -73.79 -19.98 60.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.467 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -102.07 -45.06 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -46.55 -31.87 3.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -69.76 -41.83 74.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -70.02 -30.95 68.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.453 ' HG2' ' CD2' ' A' ' 69' ' ' LEU . 5.0 ttpm? -55.86 -45.11 78.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -54.46 -35.81 63.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.8 -17.39 63.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.517 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 1.3 t80 -92.55 -31.54 15.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.512 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 3.4 mm? -59.7 -57.07 14.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.673 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 14.3 ptpt -54.21 -42.06 69.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.91 -10.39 5.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.476 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 14.5 tp -91.36 -51.07 5.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.512 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 6.3 p-90 -98.09 -51.64 3.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 70' ' ' LYS . . . -46.84 -21.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -97.93 -46.67 5.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -53.66 -47.08 70.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -95.08 74.45 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.5 t -156.52 150.62 25.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -49.33 -42.18 40.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.34 -44.36 79.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -45.74 -45.63 14.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.487 ' O ' ' C ' ' A' ' 83' ' ' VAL . 68.3 mttt -82.02 -56.49 3.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.696 HG13 ' O ' ' A' ' 83' ' ' VAL . 5.6 p 29.22 43.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' LYS . 29.4 m -151.12 176.51 11.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' CYS . 79.4 m -37.46 120.75 0.81 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -159.89 128.49 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.7 p -61.64 -55.63 28.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.54 157.96 24.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 173.43 11.02 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.6 p -47.31 128.89 12.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.6 m -56.24 -53.97 50.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.476 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.55 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.842 0.268 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.3 ttmm -73.59 99.09 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.558 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -45.11 116.03 2.75 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.566 0.698 . . . . 0.0 111.148 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.453 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 53.7 Cg_endo -69.76 152.02 69.2 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.232 . . . . 0.0 112.385 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.858 HG11 HD21 ' A' ' 20' ' ' ASN . 27.2 m -68.9 135.03 29.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.065 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.7 p -58.98 175.88 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.01 -32.53 82.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.5 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 7.5 t80 -71.0 -38.26 72.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.9 0.381 . . . . 0.0 110.962 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.521 ' HA ' HD12 ' A' ' 19' ' ' LEU . 57.4 t -80.89 -36.45 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.446 ' HE ' ' HB2' ' A' ' 61' ' ' ALA . 14.9 ttm-85 -43.93 -49.61 8.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.535 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 0.6 OUTLIER -67.31 -34.13 76.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 16' ' ' VAL . 12.0 mt -70.5 -29.6 66.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.858 HD21 HG11 ' A' ' 12' ' ' VAL . 22.3 m-20 -60.58 -60.23 4.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -60.86 -50.49 73.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.535 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 12.5 mmp_? -54.04 -44.84 71.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.422 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 5.1 tmm_? -38.62 -41.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -66.12 -51.12 60.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -42.92 -47.95 5.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.928 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.601 HG21 HG23 ' A' ' 38' ' ' ILE . 37.4 mm -64.77 -58.89 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 26' ' ' ILE . 19.7 mmt180 -35.84 -43.53 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.8 m -61.85 -43.2 99.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 26' ' ' ILE . 44.5 mtt180 -77.29 -56.46 4.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -108.12 77.05 0.65 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.583 0.706 . . . . 0.0 110.823 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -1.59 8.79 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.628 2.219 . . . . 0.0 112.407 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -101.5 -27.9 12.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 37' ' ' GLU . 9.7 mt -63.48 125.34 87.13 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.592 0.71 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.49 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.7 Cg_endo -69.82 -163.35 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.722 2.282 . . . . 0.0 112.368 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.56 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.24 -58.82 2.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 110.829 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.9 Cg_endo -69.74 19.47 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.311 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.614 ' HB3' HD22 ' A' ' 33' ' ' LEU . 5.7 mm-40 -125.91 -25.42 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.601 HG23 HG21 ' A' ' 26' ' ' ILE . 70.5 mt -88.81 -44.71 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.0 m -62.53 -39.27 93.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -58.26 -27.94 64.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.1 mtm -79.86 -48.35 13.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.461 HD21 ' CG1' ' A' ' 26' ' ' ILE . 74.2 mt -57.18 -49.08 77.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -35.83 -53.65 1.14 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.47 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.88 -41.97 46.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.707 0.289 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 42' ' ' LEU . 11.6 mm-40 -59.44 -49.48 77.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.636 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.9 t-105 -45.08 -36.8 3.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 t -78.27 -29.7 48.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.806 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 45' ' ' GLU . 50.3 mtmt -93.77 15.1 17.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.636 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.4 mt -72.72 169.13 17.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -88.8 159.28 46.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.548 0.689 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 0.34 5.79 Favored 'Trans proline' 0 C--N 1.34 0.113 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -109.53 -37.53 5.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -78.29 -53.13 7.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.588 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 16.2 tttt -53.47 -46.04 69.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.563 ' HA ' HD12 ' A' ' 58' ' ' LEU . 12.3 tm0? -63.75 -45.37 90.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -59.83 -55.84 29.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -41.57 -48.92 4.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 55' ' ' GLN . 6.1 mt -59.56 -36.55 76.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.93 -41.66 64.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -56.32 -29.59 61.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.446 ' HB2' ' HE ' ' A' ' 17' ' ' ARG . . . -87.16 12.02 12.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.066 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -99.48 -60.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.422 ' HZ3' ' HB2' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -55.04 -50.4 69.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.935 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -57.85 -50.0 74.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' GLN . 23.9 ttpt -40.89 -57.81 1.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 65' ' ' LYS . 81.4 mt-30 -36.97 -51.63 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.434 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 10.5 tt0 -48.56 -50.79 30.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.558 ' CE2' ' HA ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -63.07 -46.55 86.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.801 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.3 mt -45.82 -58.35 3.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 67' ' ' GLN . 15.7 ptpt -57.82 -30.6 65.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.13 4.92 9.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.477 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 27.5 tp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HG3' ' CA ' ' A' ' 72' ' ' LEU . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.15 0 CA-C-O 120.869 0.279 . . . . 0.0 112.347 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -83.68 111.27 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.561 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -58.83 128.6 84.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.589 0.709 . . . . 0.0 111.111 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 159.96 51.47 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.745 2.296 . . . . 0.0 112.324 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.4 m -76.89 142.77 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 14' ' ' GLY . 16.1 p -70.0 143.22 52.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -35.24 -36.79 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -61.24 -59.73 4.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.955 0.407 . . . . 0.0 110.936 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.4 t -62.04 -42.12 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.177 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.1 ttt-85 -45.82 -44.63 14.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.557 ' CE2' ' HG3' ' A' ' 22' ' ' ARG . 1.7 t80 -70.11 -42.63 72.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.468 HD22 HG23 ' A' ' 39' ' ' THR . 26.2 mt -51.61 -51.99 51.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -66.56 -48.31 70.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -49.13 -46.21 44.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.557 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 10.1 mmm180 -82.23 -32.62 29.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -39.53 -43.77 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -66.05 -46.09 79.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -50.97 -39.75 56.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.761 HG21 HG23 ' A' ' 38' ' ' ILE . 38.3 mm -69.77 -59.67 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 26' ' ' ILE . 13.5 mmm180 -36.4 -33.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 26' ' ' ILE . 86.0 m -68.3 -45.65 72.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 26' ' ' ILE . 32.6 mtt180 -80.43 -51.69 8.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -107.12 72.98 0.34 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.507 0.67 . . . . 0.0 110.785 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.421 ' CD ' ' O ' ' A' ' 29' ' ' ARG . 53.7 Cg_endo -69.86 -2.82 10.89 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.622 2.215 . . . . 0.0 112.359 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.28 -26.88 13.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.609 HD22 ' HB3' ' A' ' 37' ' ' GLU . 9.8 mt -65.7 125.55 89.99 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 110.888 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.488 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.0 Cg_endo -69.79 -163.26 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.333 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.525 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -72.13 -58.93 2.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.622 0.725 . . . . 0.0 110.854 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.6 Cg_endo -69.69 19.5 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.73 2.286 . . . . 0.0 112.339 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.609 ' HB3' HD22 ' A' ' 33' ' ' LEU . 20.2 mm-40 -126.05 -26.45 3.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.761 HG23 HG21 ' A' ' 26' ' ' ILE . 71.5 mt -87.05 -42.55 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.468 HG23 HD22 ' A' ' 19' ' ' LEU . 38.5 m -60.88 -48.92 79.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 41' ' ' MET . 18.2 pttm -46.93 -34.87 5.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.451 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 56.1 mtm -73.02 -50.33 23.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.47 -50.37 73.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.32 -48.45 5.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.533 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.6 -34.8 73.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.741 0.305 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.22 -35.8 76.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.603 ' CE3' HD12 ' A' ' 49' ' ' LEU . 56.6 t-105 -56.15 -42.75 77.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 t -73.26 -23.1 60.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.794 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -96.84 9.27 42.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.603 HD12 ' CE3' ' A' ' 46' ' ' TRP . 11.7 mt -70.91 159.07 35.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -76.56 157.16 82.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.731 . . . . 0.0 110.86 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 2.76 3.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.55 -36.01 5.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.118 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -80.7 -53.13 6.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.594 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 18.8 tttt -52.9 -41.31 64.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -68.85 -31.23 70.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 -70.89 -39.83 72.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -58.8 -48.6 80.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 26.3 mt -52.02 -54.91 24.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -55.1 -52.23 63.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -39.73 -55.65 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.05 -39.18 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -62.24 -57.5 11.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -44.63 -33.33 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -70.76 -37.52 73.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.054 0.454 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 67' ' ' GLN . 9.1 ttmt -62.87 -53.27 56.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' LYS . 1.1 mp0 -34.26 -34.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' LYS . 4.1 tt0 -86.1 -43.94 12.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.561 ' CE2' ' HA ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -60.61 -15.47 28.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 69' ' ' LEU . 15.2 mt -70.35 -60.38 2.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -26.88 14.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -80.79 11.37 3.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.43 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 30.7 tp . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.568 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.217 0 CA-C-O 120.777 0.24 . . . . 0.0 112.401 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -78.55 91.8 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.533 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . . . -42.13 120.61 2.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 111.064 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 166.88 26.22 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.632 2.221 . . . . 0.0 112.323 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 m -82.51 143.5 11.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 14' ' ' GLY . 60.5 p -71.54 141.39 50.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -34.2 -37.64 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.499 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -64.65 -49.01 72.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.956 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.491 ' HA ' HD12 ' A' ' 19' ' ' LEU . 95.5 t -70.14 -45.66 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.204 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -41.12 -61.35 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -52.37 -47.4 66.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 16' ' ' VAL . 88.7 mt -53.67 -43.72 69.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.474 ' ND2' HG12 ' A' ' 16' ' ' VAL . 9.1 m-80 -67.57 -56.25 10.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.798 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -46.92 -41.56 16.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -82.16 -34.47 29.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -39.81 -48.61 2.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -62.69 -40.1 96.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -57.33 -40.35 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.641 HG21 HG23 ' A' ' 38' ' ' ILE . 41.2 mm -67.58 -61.3 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 26' ' ' ILE . 27.5 mmt180 -34.13 -47.03 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.0 m -56.51 -44.96 81.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.047 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 26' ' ' ILE . 2.9 mtt-85 -77.11 -55.02 5.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -109.26 75.16 0.69 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.563 0.697 . . . . 0.0 110.834 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 -1.9 9.33 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.703 2.269 . . . . 0.0 112.332 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.63 -27.8 13.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.6 HD22 ' HB3' ' A' ' 37' ' ' GLU . 10.4 mt -63.21 126.24 88.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.494 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.2 Cg_endo -69.7 -163.21 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.565 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.38 -58.79 2.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.609 0.719 . . . . 0.0 110.851 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.3 Cg_endo -69.78 19.53 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.302 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.6 ' HB3' HD22 ' A' ' 33' ' ' LEU . 41.0 mm-40 -126.16 -25.17 3.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.641 HG23 HG21 ' A' ' 26' ' ' ILE . 74.5 mt -88.96 -43.25 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.9 m -64.6 -38.51 91.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -57.48 -35.8 70.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.2 mtm -73.25 -40.13 64.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.408 HD13 ' O ' ' A' ' 19' ' ' LEU . 42.5 mt -66.18 -41.97 89.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.9 -48.97 36.75 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.16 -41.64 75.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.77 0.319 . . . . 0.0 111.081 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -60.63 -40.18 90.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.567 ' CE3' HD12 ' A' ' 49' ' ' LEU . 63.1 t-105 -56.94 -37.65 71.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.4 t -77.34 -26.16 51.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -94.9 6.83 47.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.567 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.4 mt -67.26 171.14 6.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.402 ' CD ' ' HD2' ' A' ' 51' ' ' PRO . 7.1 mm100 -89.74 160.19 41.84 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.613 0.72 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.402 ' HD2' ' CD ' ' A' ' 50' ' ' GLN . 54.0 Cg_endo -69.75 0.91 4.95 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.73 -35.81 5.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -80.0 -53.39 6.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.524 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 23.3 tttt -52.23 -42.96 64.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -68.43 -46.97 68.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -53.43 -35.48 60.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -64.54 -45.52 86.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 26.0 mt -56.32 -54.82 40.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -55.8 -58.03 9.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -42.71 -45.27 4.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.94 -45.43 74.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.032 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -46.82 -61.31 1.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -45.39 -53.67 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -48.02 -46.35 32.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -42.69 -57.0 2.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.406 ' HB3' ' NZ ' ' A' ' 70' ' ' LYS . 25.1 mt-30 -39.31 -62.6 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' GLN . 5.8 tt0 -37.54 -35.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.568 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -82.92 -44.19 15.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.2 mt -51.22 -56.62 11.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.406 ' NZ ' ' HB3' ' A' ' 66' ' ' GLN . 50.4 mttp -49.77 -62.64 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.465 ' O ' ' C ' ' A' ' 72' ' ' LEU . 21.5 mm-40 -42.16 -57.46 2.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.48 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 14.1 tp . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.563 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 55.0 Cg_endo . . . . . 0 C--O 1.232 0.188 0 CA-C-O 120.856 0.273 . . . . 0.0 112.401 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -83.15 100.31 10.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -41.09 105.43 0.38 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 111.092 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.406 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.78 130.91 20.14 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.398 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.4 m -48.93 138.45 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.1 t -83.39 163.09 20.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -40.76 -38.65 1.64 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.459 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.507 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 18.7 t80 -57.86 -64.81 0.78 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.946 0.403 . . . . 0.0 110.845 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.488 ' HA ' HD12 ' A' ' 19' ' ' LEU . 49.2 t -61.66 -52.92 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.202 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' VAL . 17.2 ttt85 -38.04 -48.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -70.63 -38.06 73.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.507 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 6.8 mt -59.5 -41.96 91.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.439 HD21 HG12 ' A' ' 16' ' ' VAL . 10.7 m-20 -66.33 -63.21 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -45.42 -44.89 12.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 25' ' ' GLN . 11.2 mmm180 -73.32 -41.54 63.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.413 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 5.4 tmm_? -37.59 -47.11 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.84 -39.61 89.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 22' ' ' ARG . 16.4 mm-40 -61.33 -31.59 71.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.745 HG21 HG23 ' A' ' 38' ' ' ILE . 36.7 mm -78.98 -38.99 21.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.477 ' HD3' ' CD1' ' A' ' 38' ' ' ILE . 2.7 mmm180 -65.08 -35.85 82.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.4 m -65.59 -36.46 83.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.21 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -81.81 -46.05 14.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -123.56 79.73 54.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.594 0.712 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -1.39 8.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.35 -20.45 15.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.622 HD22 ' HB3' ' A' ' 37' ' ' GLU . 8.5 mt -65.81 125.22 89.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.501 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.2 Cg_endo -69.79 -163.15 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.678 2.252 . . . . 0.0 112.323 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.553 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.53 -58.84 2.74 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.716 0.769 . . . . 0.0 110.899 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.2 Cg_endo -69.78 19.55 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.705 2.27 . . . . 0.0 112.379 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.622 ' HB3' HD22 ' A' ' 33' ' ' LEU . 5.1 mm-40 -125.98 -23.12 4.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.745 HG23 HG21 ' A' ' 26' ' ' ILE . 93.6 mt -92.14 -43.24 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.5 m -66.21 -39.63 89.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.212 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -56.64 -31.27 64.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.7 mtm -77.84 -42.89 32.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.791 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.487 HD21 ' CG1' ' A' ' 26' ' ' ILE . 44.1 mt -67.02 -54.72 18.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -36.81 -38.67 0.32 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.15 -42.02 60.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' LEU . 31.6 mm-40 -55.87 -42.74 76.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.541 ' CH2' ' HG2' ' A' ' 54' ' ' LYS . 34.6 t-105 -58.81 -41.11 85.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -74.9 -19.1 60.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -97.38 -8.36 29.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.954 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.515 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.8 mt -51.87 168.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -82.27 158.35 66.78 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.516 0.674 . . . . 0.0 110.977 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 3.24 2.91 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.654 2.236 . . . . 0.0 112.348 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -115.03 -34.35 5.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -81.34 -51.59 8.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.541 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 17.3 tttt -52.66 -40.69 63.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.952 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -67.97 -48.14 66.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -52.17 -50.99 60.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -47.66 -43.6 26.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.6 mt -56.63 -56.2 24.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.936 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -55.69 -50.94 68.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -42.11 -53.65 3.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.19 -48.88 66.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.076 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -40.7 -53.02 2.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -38.75 -40.11 0.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -74.64 -56.73 4.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.017 0.437 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -40.92 -30.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -62.37 -68.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -57.11 -31.11 64.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.563 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.4 OUTLIER -63.44 -47.72 80.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.965 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.3 mt -43.28 -61.4 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -50.49 -47.41 57.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 8' ' ' PRO . 23.0 mm-40 -53.04 -21.39 4.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.471 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 16.9 tp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.557 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.835 0.265 . . . . 0.0 112.375 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.405 ' C ' ' CE2' ' A' ' 68' ' ' TYR . 3.5 tppt? -97.24 111.47 23.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.13 115.75 14.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.629 0.728 . . . . 0.0 111.097 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -163.78 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 2.28 . . . . 0.0 112.399 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 m -119.81 145.63 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.986 0.422 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -63.97 165.16 9.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.556 ' HA2' ' HB2' ' A' ' 61' ' ' ALA . . . -54.74 -33.5 55.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.444 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.492 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 7.0 t80 -64.02 -61.9 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.972 0.415 . . . . 0.0 110.903 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.72 HG12 ' OD1' ' A' ' 20' ' ' ASN . 38.9 t -60.25 -41.09 85.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.7 ttt-85 -44.9 -43.17 8.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -71.11 -30.5 66.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.985 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.492 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 82.1 mt -77.52 -17.04 58.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.72 ' OD1' HG12 ' A' ' 16' ' ' VAL . 35.2 m120 -79.91 -53.81 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -61.25 -47.91 83.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.543 ' HB2' HD13 ' A' ' 42' ' ' LEU . 2.7 mmp_? -62.07 -43.51 98.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.931 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' ARG . 1.2 tmt_? -37.32 -43.34 0.54 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -65.48 -48.22 73.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -52.78 -45.73 67.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.662 ' CG1' HD21 ' A' ' 42' ' ' LEU . 42.8 mm -62.91 -61.23 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' ILE . 15.6 mmm180 -35.04 -48.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.8 m -55.37 -43.59 75.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 26' ' ' ILE . 30.8 mtt85 -77.85 -56.23 4.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -108.01 75.45 0.54 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.647 0.737 . . . . 0.0 110.83 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.68 -2.17 9.65 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.69 2.26 . . . . 0.0 112.329 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -100.87 -23.34 14.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.594 HD22 ' HB3' ' A' ' 37' ' ' GLU . 8.3 mt -68.55 125.25 91.54 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.535 0.683 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.494 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.2 Cg_endo -69.75 -163.19 0.1 Allowed 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.594 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.34 -58.88 2.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.691 0.757 . . . . 0.0 110.897 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.8 Cg_endo -69.75 19.44 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.387 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.594 ' HB3' HD22 ' A' ' 33' ' ' LEU . 9.1 mm-40 -126.05 -25.45 3.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.598 HG23 HG21 ' A' ' 26' ' ' ILE . 94.4 mt -87.51 -43.13 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.224 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.0 m -62.42 -41.77 98.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 41' ' ' MET . 7.7 ptmm? -57.5 -33.89 68.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.451 ' HE1' HD12 ' A' ' 33' ' ' LEU . 39.1 mtm -72.26 -49.64 33.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.662 HD21 ' CG1' ' A' ' 26' ' ' ILE . 34.8 mt -64.88 -35.15 80.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.64 -42.9 45.65 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.53 -36.82 85.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.795 0.331 . . . . 0.0 111.162 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -62.2 -41.14 98.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.571 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.3 t-105 -49.83 -36.98 28.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -81.86 -23.71 36.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -95.19 9.77 38.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.571 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.6 mt -71.19 175.47 5.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -91.16 159.24 40.03 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.542 0.687 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 2.19 3.74 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.302 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.09 -35.42 5.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -81.12 -53.43 6.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.44 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 23.1 tttm -50.48 -43.8 55.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.704 ' OE1' HD12 ' A' ' 58' ' ' LEU . 3.0 tp-100 -65.31 -55.76 16.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -45.48 -45.92 13.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -52.97 -44.98 67.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.704 HD12 ' OE1' ' A' ' 55' ' ' GLN . 45.5 mt -56.51 -57.81 10.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 62' ' ' GLU . 38.6 t70 -57.8 -53.0 63.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.795 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -45.04 -39.73 5.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.556 ' HB2' ' HA2' ' A' ' 14' ' ' GLY . . . -74.64 -27.67 60.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 59' ' ' ASP . 80.4 mt-10 -72.78 -36.89 67.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -74.49 -34.51 63.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -76.15 -18.81 58.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.488 ' CG ' ' CD2' ' A' ' 69' ' ' LEU . 6.4 ttmt -75.88 -60.54 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.433 ' HA ' HD23 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -49.34 -31.12 8.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -65.35 -30.87 71.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.557 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -89.67 -33.97 16.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.83 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.488 ' CD2' ' CG ' ' A' ' 65' ' ' LYS . 1.4 mm? -49.25 -56.54 9.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -58.95 -31.4 68.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -67.98 -3.39 9.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.482 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 57.5 tp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.576 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.824 0.26 . . . . 0.0 112.368 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.66 114.32 15.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.08 110.55 2.76 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.625 0.726 . . . . 0.0 111.106 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 143.5 50.92 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG2' ' HG3' ' A' ' 17' ' ' ARG . 8.1 m -61.52 152.74 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 t -85.31 153.23 22.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.58 -19.22 0.76 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.429 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 8.6 t80 -78.42 -34.4 48.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 0.0 110.921 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 19' ' ' LEU . 18.7 t -77.02 -51.76 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.472 ' HG3' ' CG2' ' A' ' 12' ' ' VAL . 2.1 mtt-85 -38.03 -36.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 27.2 t80 -75.71 -39.71 56.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 16' ' ' VAL . 85.6 mt -61.32 -39.65 91.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -64.06 -74.74 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -41.03 -48.43 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 24.3 mmt180 -62.73 -52.14 64.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 22' ' ' ARG . 2.6 tmm_? -36.43 -30.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 22' ' ' ARG . 11.6 tt0 -71.44 -47.72 54.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 22' ' ' ARG . 45.0 mm-40 -55.71 -40.45 72.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.713 HG21 HG23 ' A' ' 38' ' ' ILE . 36.7 mm -68.23 -58.8 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' ILE . 20.3 mmt180 -36.47 -42.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.83 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.3 m -59.69 -47.4 85.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' ILE . 21.5 mtt180 -75.73 -53.98 7.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -107.19 75.06 0.42 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.541 0.686 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 29' ' ' ARG . 53.8 Cg_endo -69.7 -2.38 10.04 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.749 2.299 . . . . 0.0 112.305 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -102.02 -31.67 10.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.611 HD22 ' HB3' ' A' ' 37' ' ' GLU . 9.1 mt -59.68 125.33 79.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.489 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.2 Cg_endo -69.75 -163.16 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.525 ' N ' ' HD2' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -72.29 -58.82 2.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.659 0.742 . . . . 0.0 110.87 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.4 Cg_endo -69.76 19.53 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.716 2.278 . . . . 0.0 112.343 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.611 ' HB3' HD22 ' A' ' 33' ' ' LEU . 20.3 mm-40 -126.09 -25.54 3.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.713 HG23 HG21 ' A' ' 26' ' ' ILE . 81.4 mt -87.87 -40.68 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.06 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.422 HG23 HD22 ' A' ' 19' ' ' LEU . 50.1 m -63.82 -45.3 90.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -51.24 -33.95 30.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 53.7 mtm -73.74 -47.54 38.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.445 HD13 ' HB2' ' A' ' 22' ' ' ARG . 47.2 mt -59.2 -41.43 88.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -44.41 -38.09 5.06 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.92 -37.05 85.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.722 0.296 . . . . 0.0 111.083 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -66.02 -38.44 88.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.684 ' CE3' HD12 ' A' ' 49' ' ' LEU . 69.5 t-105 -55.63 -33.13 63.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.8 t -81.1 -20.2 41.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -100.07 11.86 38.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.961 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.684 HD12 ' CE3' ' A' ' 46' ' ' TRP . 11.1 mt -72.92 156.2 39.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -75.16 159.6 82.15 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.561 0.696 . . . . 0.0 110.96 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 1.68 4.22 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.381 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.29 -39.54 4.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -75.04 -55.18 6.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.519 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 6.9 tttp -48.65 -41.8 32.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -70.31 -45.9 65.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -52.67 -42.53 64.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -59.09 -42.74 91.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 33.9 mt -59.53 -55.61 32.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -55.63 -48.36 75.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -45.46 -57.69 3.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.414 ' HB2' ' HD2' ' A' ' 17' ' ' ARG . . . -62.0 -41.84 98.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 65' ' ' LYS . 35.6 mt-10 -53.64 -52.85 58.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -46.81 -32.16 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -84.44 -24.03 29.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.824 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' GLU . 68.4 tttt -64.97 -42.31 94.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -47.42 -53.26 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -52.58 -65.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.576 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -44.84 -50.53 10.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.401 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 12.3 mt -46.62 -62.51 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -48.53 -59.22 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.485 ' O ' ' C ' ' A' ' 72' ' ' LEU . 13.3 mt-10 -40.93 -59.77 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.495 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 16.0 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.478 ' HB3' ' CB ' ' A' ' 71' ' ' GLU . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.827 0.261 . . . . 0.0 112.329 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -76.83 95.56 4.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.491 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -47.54 105.93 0.54 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.596 0.712 . . . . 0.0 111.082 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 174.22 9.85 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.712 2.275 . . . . 0.0 112.322 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.8 m -105.72 159.55 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.174 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 14' ' ' GLY . 23.2 p -84.49 148.76 26.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.501 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -35.75 -40.9 0.36 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.442 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.578 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 21.6 t80 -60.95 -58.1 9.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.934 0.397 . . . . 0.0 110.932 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.817 ' HA ' HD12 ' A' ' 19' ' ' LEU . 85.8 t -63.3 -52.55 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 16' ' ' VAL . 30.6 ttt85 -37.09 -59.37 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.559 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -57.32 -39.46 75.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 16' ' ' VAL . 25.2 mt -62.47 -31.38 72.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -68.22 -60.39 2.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -51.87 -44.2 63.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.559 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 12.6 mmt180 -68.26 -45.89 71.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.411 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 2.0 tmm_? -37.51 -35.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -70.21 -48.48 56.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' ARG . 24.0 mm-40 -52.17 -41.28 62.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.576 HG21 HG23 ' A' ' 38' ' ' ILE . 33.4 mm -67.63 -60.96 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' ILE . 16.8 mmt180 -35.74 -48.88 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.4 m -55.13 -43.83 74.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 26' ' ' ILE . 79.2 mtt180 -76.88 -57.42 3.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -107.53 76.94 0.55 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 29' ' ' ARG . 54.3 Cg_endo -69.7 -2.32 9.93 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.745 2.296 . . . . 0.0 112.334 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -100.89 -21.01 15.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.569 HD22 ' HB3' ' A' ' 37' ' ' GLU . 7.8 mt -70.59 123.8 89.75 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.6 0.714 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.482 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.9 Cg_endo -69.74 -163.05 0.1 OUTLIER 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.58 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.61 -58.91 2.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 110.826 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.1 Cg_endo -69.76 19.37 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.687 2.258 . . . . 0.0 112.352 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.569 ' HB3' HD22 ' A' ' 33' ' ' LEU . 22.9 mm-40 -125.57 -25.48 3.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.576 HG23 HG21 ' A' ' 26' ' ' ILE . 87.1 mt -87.58 -43.77 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.6 m -61.64 -46.66 88.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 41' ' ' MET . 18.7 pttp -51.13 -35.4 35.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.467 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 45.0 mtm -71.9 -44.93 62.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 45' ' ' GLU . 86.5 mt -61.7 -50.03 74.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -35.55 -41.93 0.42 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.68 96.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.754 0.311 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 42' ' ' LEU . 16.4 mm-40 -61.75 -46.95 87.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.556 ' CE3' HD12 ' A' ' 49' ' ' LEU . 58.9 t-105 -51.05 -39.89 56.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.4 t -75.31 -25.06 57.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -95.99 6.91 47.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.556 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.6 mt -69.02 161.53 28.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -75.44 158.32 83.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.663 0.744 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 1.93 3.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.308 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.1 -39.45 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -76.01 -53.96 7.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 34.3 tttt -53.33 -47.73 69.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -62.23 -47.86 82.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -55.8 -45.41 78.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -52.2 -40.32 61.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.25 -45.15 94.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -69.88 -30.72 68.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -63.55 -31.53 72.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.501 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -88.2 -51.26 5.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.507 ' CG ' ' N ' ' A' ' 63' ' ' LYS . 7.7 pt-20 -46.52 -49.13 19.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.507 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 50.3 mtmt -58.24 -48.21 81.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -55.74 -47.04 77.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.587 ' HE3' HD21 ' A' ' 69' ' ' LEU . 16.6 tttp -60.07 -51.3 70.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -38.47 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 65' ' ' LYS . 4.9 tt0 -88.55 -53.65 4.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.59 ' HD1' HD22 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -43.67 -26.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.59 HD22 ' HD1' ' A' ' 68' ' ' TYR . 4.0 mm? -67.65 -54.01 23.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -66.47 -4.41 8.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.478 ' CB ' ' HB3' ' A' ' 8' ' ' PRO . 20.3 mt-10 -104.11 2.63 32.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.434 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 52.7 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.567 ' HG2' ' CE2' ' A' ' 68' ' ' TYR . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.891 0.288 . . . . 0.0 112.322 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.67 101.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.55 127.66 4.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.564 0.697 . . . . 0.0 111.15 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -176.03 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.312 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.575 HG21 ' HB3' ' A' ' 17' ' ' ARG . 22.5 m -109.16 169.59 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 16' ' ' VAL . 75.3 p -105.87 145.93 30.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.13 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -36.48 -33.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 13' ' ' THR . 24.7 t80 -72.22 -42.65 65.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.349 . . . . 0.0 110.892 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.712 ' HA ' HD12 ' A' ' 19' ' ' LEU . 59.9 t -68.44 -68.73 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.963 ' HD2' ' HB2' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -41.38 -27.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.435 ' CE2' ' HG3' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -78.53 -38.4 40.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' A' ' 16' ' ' VAL . 7.4 mt -54.39 -47.17 73.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -67.58 -59.38 3.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -39.48 -45.44 1.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.435 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 36.8 mmt180 -83.74 -33.06 25.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.407 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 5.2 tmm_? -41.54 -39.65 1.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -68.05 -42.05 81.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -55.71 -39.74 71.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.654 HG21 HG23 ' A' ' 38' ' ' ILE . 32.7 mm -68.76 -58.73 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' ILE . 17.6 mmm180 -36.92 -46.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.3 m -57.12 -41.99 80.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' ILE . 12.0 mtt-85 -80.08 -57.9 3.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.802 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -107.18 74.99 0.42 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.582 0.706 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 29' ' ' ARG . 54.5 Cg_endo -69.85 -1.94 9.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.662 2.241 . . . . 0.0 112.396 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -101.71 -25.53 13.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 37' ' ' GLU . 9.4 mt -64.86 126.24 90.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.487 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.5 Cg_endo -69.8 -163.23 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.316 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.592 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.19 -58.89 2.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 110.818 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.9 Cg_endo -69.76 19.48 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.577 ' HB3' HD22 ' A' ' 33' ' ' LEU . 17.5 mm-40 -126.03 -24.72 3.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.654 HG23 HG21 ' A' ' 26' ' ' ILE . 87.2 mt -88.76 -40.92 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.408 HG23 HD22 ' A' ' 19' ' ' LEU . 15.3 m -66.1 -46.34 77.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 41' ' ' MET . 10.2 pttm -51.15 -27.98 9.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.846 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.412 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 38.9 mtm -78.64 -48.15 15.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 45' ' ' GLU . 73.6 mt -56.92 -45.36 82.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.08 -47.48 2.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.34 -33.16 75.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' LEU . 6.5 mm-40 -63.68 -51.08 66.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.7 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.1 t-105 -47.18 -35.67 7.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.3 t -78.57 -25.53 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.97 0.414 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -96.95 10.51 38.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.7 HD12 ' CE3' ' A' ' 46' ' ' TRP . 11.4 mt -68.29 161.62 26.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -82.14 160.52 62.7 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 0.0 110.976 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.84 3.18 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.52 -38.55 4.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -75.94 -52.5 10.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.572 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 22.3 tttt -51.83 -47.8 64.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -59.89 -41.07 90.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.4 ttt85 -61.29 -50.88 71.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -52.37 -39.21 60.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.2 mt -65.91 -64.58 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.977 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -56.19 -22.97 32.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -65.62 -42.04 91.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.963 ' HB2' ' HD2' ' A' ' 17' ' ' ARG . . . -76.89 -41.72 42.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 65' ' ' LYS . 64.9 mt-10 -43.4 -53.85 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -42.74 -45.4 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -68.23 -31.01 70.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' GLU . 17.5 tttp -59.47 -51.18 70.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -44.78 -36.3 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -69.34 -67.93 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.567 ' CE2' ' HG2' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -41.4 -44.46 2.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 mt -49.25 -58.19 5.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 71' ' ' GLU . 53.4 mttp -49.94 -68.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 72' ' ' LEU . 21.6 mm-40 -35.25 -59.14 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.492 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 29.2 tp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.563 ' HG2' ' CE2' ' A' ' 68' ' ' TYR . 53.2 Cg_endo . . . . . 0 N--CA 1.465 -0.166 0 CA-C-O 120.859 0.275 . . . . 0.0 112.371 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -60.53 98.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -37.99 134.24 0.86 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.558 0.694 . . . . 0.0 111.061 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.441 ' HD3' ' CG ' ' A' ' 68' ' ' TYR . 54.2 Cg_endo -69.7 -169.32 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 m -139.21 163.06 26.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.169 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.467 ' OG1' HG23 ' A' ' 16' ' ' VAL . 29.1 p -78.75 154.88 29.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.183 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.91 -14.67 5.69 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.645 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 22.7 t80 -92.34 -20.02 21.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.938 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 19' ' ' LEU . 54.2 t -87.3 -58.79 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.08 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.822 ' HD2' ' HB2' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -40.4 -34.29 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.963 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.517 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -78.76 -37.2 41.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.812 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.645 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 11.5 mt -58.95 -50.01 75.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -68.04 -56.46 8.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -47.99 -42.6 28.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.758 ' HB3' HD22 ' A' ' 42' ' ' LEU . 32.2 mmt180 -79.49 -31.46 42.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.535 ' HA ' HD11 ' A' ' 42' ' ' LEU . 3.3 tmm_? -53.65 -26.0 20.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -76.06 -46.05 31.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -54.28 -38.87 66.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.548 HG21 HG23 ' A' ' 38' ' ' ILE . 21.7 mm -69.07 -59.54 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 26' ' ' ILE . 19.6 mmt180 -36.04 -45.7 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 60.9 m -58.35 -42.27 86.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 26' ' ' ILE . 65.0 mtt180 -80.02 -57.16 3.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -108.06 74.86 0.51 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -1.27 8.19 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.365 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.97 -34.64 10.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.823 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 37' ' ' GLU . 12.6 mt -55.68 120.97 36.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.558 0.694 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.484 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.1 Cg_endo -69.8 163.16 39.34 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.707 2.271 . . . . 0.0 112.372 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.539 ' N ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -41.78 -57.93 3.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.656 0.741 . . . . 0.0 110.921 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.4 Cg_endo -69.74 19.5 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.589 2.193 . . . . 0.0 112.424 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.524 ' HB3' HD22 ' A' ' 33' ' ' LEU . 3.2 mm-40 -130.78 -26.84 2.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.548 HG23 HG21 ' A' ' 26' ' ' ILE . 96.7 mt -85.0 -36.31 11.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 m -68.46 -47.1 68.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -46.85 -27.91 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 27.8 mtm -81.15 -49.05 11.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.758 HD22 ' HB3' ' A' ' 22' ' ' ARG . 83.3 mt -55.43 -47.87 75.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -45.25 -49.08 10.54 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.546 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.405 ' HB1' ' HE2' ' A' ' 48' ' ' LYS . . . -57.32 -40.01 77.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 111.1 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -61.5 -42.13 98.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.664 ' CE3' HD12 ' A' ' 49' ' ' LEU . 66.8 t-105 -55.59 -36.4 66.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 t -76.87 -27.83 55.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HE2' ' HB1' ' A' ' 44' ' ' ALA . 27.2 mtmt -97.28 10.36 39.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.664 HD12 ' CE3' ' A' ' 46' ' ' TRP . 11.6 mt -66.62 169.12 8.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -85.36 159.55 55.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.546 0.688 . . . . 0.0 110.939 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -0.75 7.46 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.702 2.268 . . . . 0.0 112.32 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.53 -36.13 5.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -77.93 -52.55 8.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.502 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 20.5 tttt -52.35 -39.07 60.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.419 ' NE2' HD12 ' A' ' 58' ' ' LEU . 56.5 tp60 -73.27 -44.77 58.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.403 ' NH2' ' CE1' ' A' ' 57' ' ' TYR . 35.7 ttp85 -54.59 -33.4 60.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.403 ' CE1' ' NH2' ' A' ' 56' ' ' ARG . 16.0 m-85 -67.49 -40.18 85.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.419 HD12 ' NE2' ' A' ' 55' ' ' GLN . 38.9 mt -61.06 -57.43 12.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -57.8 -55.01 40.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -43.08 -49.69 6.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.822 ' HB2' ' HD2' ' A' ' 17' ' ' ARG . . . -62.21 -39.86 94.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -58.72 -54.08 51.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -43.39 66.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -57.63 -38.47 75.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -51.75 -50.19 61.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -45.34 -50.96 11.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -50.12 -62.91 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.563 ' CE2' ' HG2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -45.0 -55.37 5.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.518 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 14.4 mt -44.51 -57.3 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -48.4 -61.44 2.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.484 ' O ' ' C ' ' A' ' 72' ' ' LEU . 22.0 mm-40 -44.87 -57.48 3.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 71' ' ' GLU . 27.8 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.525 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.23 0.124 0 CA-C-O 120.927 0.303 . . . . 0.0 112.329 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -83.05 103.56 12.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.548 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -54.26 110.35 2.06 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.624 0.726 . . . . 0.0 111.108 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.55 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.77 161.02 47.56 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.3 m -64.82 157.7 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.071 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 14' ' ' GLY . 82.4 p -92.54 153.96 18.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -34.5 -40.65 0.19 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.443 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.684 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 17.1 t80 -63.11 -67.13 0.45 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.925 0.393 . . . . 0.0 110.89 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.482 ' HA ' HD12 ' A' ' 19' ' ' LEU . 75.0 t -54.03 -49.18 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.097 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' VAL . 22.1 ttm-85 -34.86 -59.61 0.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -58.75 -43.07 90.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.684 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 85.4 mt -57.31 -41.31 79.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -68.24 -55.87 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -50.54 -46.64 57.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 25' ' ' GLN . 7.7 mmm180 -73.06 -42.02 63.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 22' ' ' ARG . 2.3 tmm_? -34.18 -54.31 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -51.9 -46.08 64.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' ARG . 14.5 mm-40 -53.05 -44.61 67.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 29' ' ' ARG . 34.4 mm -62.5 -61.86 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 26' ' ' ILE . 37.5 mmm-85 -34.39 -48.52 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.9 m -55.73 -44.43 77.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.2 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 26' ' ' ILE . 25.5 mtp180 -78.02 -57.68 3.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -107.23 74.68 0.41 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 121.663 0.744 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 29' ' ' ARG . 53.0 Cg_endo -69.81 -1.76 9.06 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -100.19 -24.16 14.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.584 HD22 ' HB3' ' A' ' 37' ' ' GLU . 9.0 mt -67.67 124.66 89.85 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.493 ' CG ' ' HG3' ' A' ' 37' ' ' GLU . 54.0 Cg_endo -69.71 -163.12 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.373 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.527 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.36 -58.71 2.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 0.0 110.865 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.2 Cg_endo -69.9 19.66 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.689 2.259 . . . . 0.0 112.313 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.584 ' HB3' HD22 ' A' ' 33' ' ' LEU . 8.2 mm-40 -126.49 -27.08 3.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.479 HG23 HG21 ' A' ' 26' ' ' ILE . 96.3 mt -84.61 -42.39 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.6 m -63.85 -45.61 88.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 41' ' ' MET . 10.8 ptmt -53.99 -30.69 48.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.462 ' HE1' HD12 ' A' ' 33' ' ' LEU . 31.1 mtm -74.87 -44.98 46.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.36 -45.62 90.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.37 -52.57 5.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.493 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.48 -39.43 48.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -66.95 -45.75 76.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.835 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.454 ' CE3' HD12 ' A' ' 49' ' ' LEU . 71.6 t-105 -54.97 -33.49 62.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 t -81.93 -24.71 35.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -99.79 18.64 17.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.454 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.1 mt -78.11 167.08 21.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -84.36 160.05 57.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.548 0.69 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 2.25 3.67 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.726 2.284 . . . . 0.0 112.352 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.53 -38.53 4.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -76.31 -54.64 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -50.98 -45.15 60.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -65.24 -43.87 89.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -54.73 -48.3 72.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -54.35 -44.27 72.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.007 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.5 mt -58.56 -52.59 65.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -58.21 -49.18 77.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -48.28 -50.14 31.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.73 -32.43 70.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -61.78 -56.0 24.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -53.81 -60.69 2.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 65' ' ' LYS . 74.9 mm-40 -48.54 -49.64 35.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' GLU . 26.4 tttp -33.78 -60.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.523 ' HA ' HD13 ' A' ' 69' ' ' LEU . 10.1 mm100 -37.66 -56.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.508 ' C ' ' CD ' ' A' ' 67' ' ' GLN . 0.9 OUTLIER -39.5 -41.25 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.55 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 0.2 OUTLIER -79.41 -34.95 41.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' A' ' 66' ' ' GLN . 4.7 mp -53.25 -51.47 62.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -55.5 -34.98 65.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -72.28 -2.83 20.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.475 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 46.4 tp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.563 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.745 0.227 . . . . 0.0 112.404 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -65.67 109.85 2.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.04 115.13 8.3 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.588 0.708 . . . . 0.0 111.08 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 142.25 47.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.645 2.23 . . . . 0.0 112.313 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.0 m -57.79 130.76 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.1 t -72.73 159.72 33.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -42.6 -37.14 2.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.614 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 17.0 t80 -61.34 -63.0 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.939 0.399 . . . . 0.0 110.932 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 19' ' ' LEU . 72.9 t -60.97 -51.93 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.102 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' VAL . 18.7 ttt180 -38.02 -45.28 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -70.89 -36.09 72.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.614 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 77.9 mt -69.35 -29.5 67.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.983 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -73.89 -39.73 63.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -72.39 -50.95 22.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.615 ' HB2' HD13 ' A' ' 42' ' ' LEU . 25.5 mmt-85 -62.0 -45.56 93.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.776 ' HD2' HG21 ' A' ' 38' ' ' ILE . 3.2 tpt180 -39.76 -30.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -76.78 -40.25 48.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 22' ' ' ARG . 6.1 mm100 -57.6 -37.75 73.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' ARG . 28.3 mm -70.05 -60.64 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.59 ' HG2' HD13 ' A' ' 38' ' ' ILE . 12.2 mmt180 -34.39 -43.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.9 m -57.9 -48.63 79.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' ILE . 5.5 mtt-85 -76.35 -52.89 9.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.765 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -107.51 76.48 0.53 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 29' ' ' ARG . 53.8 Cg_endo -69.73 -1.38 8.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -100.58 -22.6 14.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.567 HD22 ' HB3' ' A' ' 37' ' ' GLU . 8.7 mt -69.36 124.97 91.6 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.673 0.749 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.503 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.0 Cg_endo -69.74 -163.08 0.1 OUTLIER 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.687 2.258 . . . . 0.0 112.387 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.622 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.75 -58.7 2.64 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.61 0.719 . . . . 0.0 110.869 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.4 Cg_endo -69.85 19.33 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.567 ' HB3' HD22 ' A' ' 33' ' ' LEU . 25.3 mm-40 -125.68 -23.66 3.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.776 HG21 ' HD2' ' A' ' 23' ' ' ARG . 90.6 mt -90.89 -45.99 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.201 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.3 m -62.69 -41.21 98.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.196 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 41' ' ' MET . 12.9 ptmm? -55.38 -41.57 72.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.43 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 29.8 mtm -65.92 -42.24 90.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.615 HD13 ' HB2' ' A' ' 22' ' ' ARG . 30.5 mt -62.02 -38.68 89.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.34 -40.62 30.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.43 -31.52 72.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.298 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -70.75 -43.6 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.736 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.5 t-105 -46.84 -41.94 16.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.8 t -73.93 -24.34 59.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -89.15 -12.44 41.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.948 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.736 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.0 mt -49.32 162.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -79.3 159.32 72.84 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.593 0.711 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.04 3.88 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.361 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.82 -35.34 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -78.49 -50.46 11.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.513 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 23.6 tttt -54.35 -38.55 66.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -71.48 -47.85 52.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -53.62 -47.81 69.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -48.5 -42.29 32.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.6 mt -59.17 -58.5 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -53.23 -47.45 68.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -45.57 -50.5 13.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.53 -44.55 86.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -47.02 -58.66 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -39.95 -55.24 2.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.59 -44.28 96.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -40.36 -43.23 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -50.96 -48.44 60.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -53.16 -38.3 62.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.563 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -73.53 -41.54 62.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.824 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.2 mt -54.15 -68.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 22.8 pttt -39.01 -54.17 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.487 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 6.8 mm-40 -51.46 -54.05 30.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.479 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 4.9 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.452 ' HG3' ' CA ' ' A' ' 72' ' ' LEU . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.882 0.284 . . . . 0.0 112.358 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -81.85 113.09 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.488 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -53.36 120.73 22.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.537 0.684 . . . . 0.0 111.169 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -167.87 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.243 . . . . 0.0 112.38 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.3 m -113.5 155.78 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' GLY . 69.2 p -91.77 149.52 21.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -37.5 -37.36 0.33 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.433 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.505 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 23.6 t80 -66.1 -50.66 63.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.935 0.398 . . . . 0.0 110.989 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' ARG . 16.4 t -69.85 -57.8 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.162 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' VAL . 30.6 ttt-85 -36.01 -48.36 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.805 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.53 -42.69 74.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.818 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.505 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 19.3 mt -54.82 -42.95 72.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -64.11 -60.9 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -40.31 -50.71 2.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.58 ' HB3' HD22 ' A' ' 42' ' ' LEU . 18.7 mmm180 -71.01 -45.83 63.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.564 ' HA ' HD11 ' A' ' 42' ' ' LEU . 2.7 tmm_? -37.03 -47.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -57.95 -48.97 78.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -51.95 -40.18 60.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.428 HG21 HG23 ' A' ' 38' ' ' ILE . 40.7 mm -68.41 -54.8 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.216 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -42.78 -37.64 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.808 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.8 m -66.62 -45.29 79.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -71.79 -55.27 7.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -117.86 81.35 15.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.599 0.714 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 -1.08 7.87 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.743 2.295 . . . . 0.0 112.282 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -99.34 -31.31 11.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.469 HD22 ' HB3' ' A' ' 37' ' ' GLU . 10.9 mt -53.15 118.48 14.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.661 0.743 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.494 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.7 Cg_endo -69.76 163.32 38.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.74 2.294 . . . . 0.0 112.306 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.528 ' N ' ' HD2' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -41.82 -58.03 3.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.636 0.731 . . . . 0.0 110.876 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.3 Cg_endo -69.73 19.48 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.382 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.494 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 11.0 mm-40 -130.8 -26.2 2.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.428 HG23 HG21 ' A' ' 26' ' ' ILE . 96.4 mt -84.87 -32.91 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.7 m -72.69 -45.58 58.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -49.9 -27.51 5.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 28.2 mtm -82.63 -43.95 16.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.58 HD22 ' HB3' ' A' ' 22' ' ' ARG . 87.4 mt -63.39 -45.96 88.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.68 -50.05 7.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.505 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.89 -39.34 58.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 111.049 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.33 -44.0 96.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.599 ' CE3' HD12 ' A' ' 49' ' ' LEU . 70.7 t-105 -56.06 -35.32 66.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.3 t -77.74 -32.08 52.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.817 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -94.17 20.9 7.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.599 HD12 ' CE3' ' A' ' 46' ' ' TRP . 10.7 mt -80.12 152.97 29.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.938 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -68.41 154.8 93.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.621 0.724 . . . . 0.0 110.952 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 4.04 2.41 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.22 -33.8 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -81.14 -54.06 5.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.494 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 6.8 tttp -48.55 -29.03 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -84.85 -47.59 10.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 56' ' ' ARG . 0.9 OUTLIER -54.97 -32.04 61.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -65.96 -46.72 77.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.1 mt -54.81 -49.4 71.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 62' ' ' GLU . 40.3 t0 -59.17 -59.4 5.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 59' ' ' ASP . 6.1 mm-40 -35.9 -47.82 0.54 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.98 -44.0 90.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' ASP . 27.0 mt-10 -51.47 -57.17 9.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -39.26 -50.74 1.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.09 -47.49 85.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -43.38 -52.15 6.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -54.65 -32.67 59.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -75.89 -46.57 29.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.488 ' CE2' ' HA ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -66.67 -20.91 66.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.2 mt -71.3 -54.98 8.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -60.79 -23.55 65.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 8' ' ' PRO . 22.4 mm-40 -82.39 0.85 40.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.452 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 20.6 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.509 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.843 0.268 . . . . 0.0 112.326 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.3 tptp -95.83 111.76 23.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.491 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -50.34 112.64 2.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.631 0.729 . . . . 0.0 111.056 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.507 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 54.0 Cg_endo -69.8 135.1 29.51 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.5 m -46.49 149.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 14' ' ' GLY . 58.6 p -88.76 146.92 24.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.077 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.449 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -35.4 -34.88 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.497 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 23.8 t80 -71.0 -48.28 54.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.982 0.42 . . . . 0.0 110.964 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.65 HG12 ' ND2' ' A' ' 20' ' ' ASN . 87.3 t -68.67 -51.63 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.149 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.9 ttt85 -40.3 -52.28 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.439 ' CE2' ' HG3' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -61.39 -36.36 80.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.497 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 84.6 mt -67.1 -42.97 83.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.65 ' ND2' HG12 ' A' ' 16' ' ' VAL . 22.8 m-80 -64.47 -53.05 54.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -55.87 -51.04 68.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.439 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 4.5 mmp_? -64.28 -44.36 91.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' ARG . 5.9 tmm_? -35.78 -54.21 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -45.76 -54.13 8.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.426 ' HG3' ' NH2' ' A' ' 22' ' ' ARG . 29.1 mm100 -47.28 -42.26 20.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.677 HG21 HG23 ' A' ' 38' ' ' ILE . 38.1 mm -67.01 -54.75 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -42.33 -35.9 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.811 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 98.5 m -67.51 -36.99 82.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' ILE . 10.8 mtp85 -80.99 -55.53 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.852 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -120.48 80.5 30.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.512 0.672 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -0.58 7.13 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.262 . . . . 0.0 112.352 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -101.16 -15.94 17.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 33' ' ' LEU . 8.7 mt -69.67 119.04 68.5 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.584 0.707 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.494 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.6 Cg_endo -69.74 163.98 36.23 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.638 2.225 . . . . 0.0 112.376 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.612 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -42.19 -58.08 3.8 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.846 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.1 Cg_endo -69.68 19.28 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.494 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 3.5 mm-40 -130.71 -22.1 2.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.677 HG23 HG21 ' A' ' 26' ' ' ILE . 87.9 mt -92.27 -37.41 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.17 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 m -68.8 -43.72 75.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.2 pttp -53.07 -29.69 31.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 40.7 mtm -78.08 -45.92 22.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.428 HD21 ' CG1' ' A' ' 26' ' ' ILE . 39.3 mt -63.84 -46.58 84.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.7 -48.07 6.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.513 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.46 -33.41 63.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.694 0.283 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -72.27 -40.36 67.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.632 ' CE3' HD12 ' A' ' 49' ' ' LEU . 57.9 t-105 -53.79 -37.61 63.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.9 t -75.23 -27.28 59.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -97.29 12.0 34.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.632 HD12 ' CE3' ' A' ' 46' ' ' TRP . 10.9 mt -70.86 153.79 42.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -67.95 154.67 93.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.658 0.742 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 3.31 2.81 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.699 2.266 . . . . 0.0 112.383 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.98 -33.72 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -80.11 -53.72 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.575 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 14.7 tttt -50.98 -40.76 58.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.485 ' NE2' HD12 ' A' ' 58' ' ' LEU . 41.9 tp60 -70.91 -42.24 70.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -60.96 -33.85 73.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -64.83 -44.12 90.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.485 HD12 ' NE2' ' A' ' 55' ' ' GLN . 38.9 mt -56.3 -50.9 70.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -60.66 -51.67 68.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -41.38 -46.18 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.449 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -75.69 -41.75 52.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -52.97 -55.26 24.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -40.46 -43.22 1.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -75.52 -41.11 56.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -48.57 -45.07 37.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -61.26 -36.26 79.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -72.27 -47.44 50.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.509 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -61.1 -40.94 95.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.1 mt -51.26 -60.02 3.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.966 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.3 pttt -56.13 -27.83 55.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -79.1 7.14 7.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.478 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 44.0 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.564 ' HB2' ' CD1' ' A' ' 68' ' ' TYR . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.82 0.258 . . . . 0.0 112.356 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -87.19 112.35 21.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.479 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . . . -47.4 110.79 1.42 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.622 0.725 . . . . 0.0 111.103 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.598 ' HD3' ' CD1' ' A' ' 68' ' ' TYR . 53.4 Cg_endo -69.81 169.03 19.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.735 2.29 . . . . 0.0 112.299 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.1 m -93.1 131.49 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.1 t -74.87 159.0 32.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -38.87 -36.04 0.43 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.54 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -63.7 -61.79 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.41 . . . . 0.0 110.897 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 19' ' ' LEU . 94.3 t -62.29 -54.43 34.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' VAL . 13.1 ttt-85 -34.96 -55.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.545 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -64.18 -37.46 87.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.809 -179.874 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' VAL . 10.2 mt -62.26 -37.4 85.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -67.51 -57.34 6.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -51.94 -51.09 59.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.635 ' HB3' HD22 ' A' ' 42' ' ' LEU . 20.2 mmt180 -64.57 -48.36 75.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.603 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -36.31 -57.68 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -49.15 -48.25 45.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -52.97 -36.38 60.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.617 HG21 HG23 ' A' ' 38' ' ' ILE . 44.2 mm -71.09 -53.7 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.2 mmm-85 -42.12 -39.73 2.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.7 m -63.52 -44.36 94.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.169 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -72.51 -54.51 9.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -120.71 81.47 33.19 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.644 0.735 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -0.63 7.26 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -100.05 -26.71 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.448 HD22 ' HB3' ' A' ' 37' ' ' GLU . 8.9 mt -58.5 118.42 28.01 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.577 0.703 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.498 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.3 Cg_endo -69.72 163.99 36.17 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -42.2 -58.1 3.78 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.683 0.754 . . . . 0.0 110.91 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.3 Cg_endo -69.74 19.48 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.703 2.269 . . . . 0.0 112.343 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.498 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 5.5 mm-40 -130.98 -23.74 2.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.617 HG23 HG21 ' A' ' 26' ' ' ILE . 94.7 mt -89.98 -34.15 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.0 m -72.7 -42.77 63.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -54.28 -28.61 43.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.873 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.2 mtm -79.19 -47.77 15.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.635 HD22 ' HB3' ' A' ' 22' ' ' ARG . 88.2 mt -59.88 -49.23 78.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.57 -59.32 1.97 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.527 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.91 -43.24 18.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.712 0.292 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -60.31 -40.46 90.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.595 ' CE3' HD12 ' A' ' 49' ' ' LEU . 52.8 t-105 -59.04 -45.7 90.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.3 m -70.81 -20.87 62.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -99.57 10.13 41.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.595 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.0 mt -68.26 168.58 12.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -87.06 159.86 50.41 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 2.6 3.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.769 2.312 . . . . 0.0 112.362 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.89 -38.02 4.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -76.26 -53.54 8.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.537 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 21.5 tttt -50.67 -42.15 56.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -67.86 -40.58 83.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 17.5 ttm-85 -59.21 -28.42 66.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -81.52 -42.4 20.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.2 mt -63.65 -30.4 71.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -88.28 -33.17 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 16.5 mm-40 -65.32 -19.72 66.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.96 -42.84 6.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -54.31 -28.79 44.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -75.22 -30.88 60.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -81.6 -25.56 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -71.35 -33.57 69.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -61.17 -39.88 91.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -74.5 -38.44 62.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.598 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 1.9 t80 -62.06 -41.46 98.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.5 mt -55.5 -55.59 30.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -53.39 -41.81 66.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.431 ' CB ' ' HB3' ' A' ' 8' ' ' PRO . 56.5 mm-40 -60.2 -13.32 11.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.455 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 21.5 tp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.495 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.2 Cg_endo . . . . . 0 C--O 1.23 0.113 0 CA-C-O 120.945 0.31 . . . . 0.0 112.252 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -89.58 109.88 20.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.437 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -45.7 113.36 1.97 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.589 0.709 . . . . 0.0 111.1 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.496 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 54.4 Cg_endo -69.78 163.07 39.65 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.723 2.282 . . . . 0.0 112.325 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.6 m -79.13 153.65 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.6 p -93.08 158.8 15.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.401 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -37.86 -40.14 0.73 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.691 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 17.9 t80 -66.59 -58.73 4.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.855 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.625 ' HA ' HD12 ' A' ' 19' ' ' LEU . 84.0 t -59.24 -57.98 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' VAL . 18.0 ttt85 -36.02 -55.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.533 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -58.72 -38.81 79.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.691 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 15.4 mt -66.51 -28.37 68.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -81.03 -40.62 23.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -69.06 -48.5 62.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.741 ' HB3' HD22 ' A' ' 42' ' ' LEU . 25.4 mmt180 -63.38 -46.54 86.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.597 ' HA ' HD11 ' A' ' 42' ' ' LEU . 19.9 ttp85 -35.98 -57.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' ARG . 7.0 tt0 -36.42 -52.99 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -50.56 -41.53 54.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.627 HG21 HG23 ' A' ' 38' ' ' ILE . 40.8 mm -67.09 -60.51 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' ILE . 11.8 mmm180 -35.04 -42.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 m -61.16 -50.92 71.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -68.87 -52.87 25.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -119.08 79.7 18.33 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.655 0.741 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.88 -0.84 7.6 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.309 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -99.75 -32.87 10.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 37' ' ' GLU . 8.9 mt -53.43 119.08 16.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.586 0.708 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.502 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.4 Cg_endo -69.79 163.61 37.65 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.538 ' N ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -41.95 -58.03 3.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.639 0.733 . . . . 0.0 110.882 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.0 Cg_endo -69.73 19.34 0.18 Allowed 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.774 2.316 . . . . 0.0 112.33 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.502 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 2.9 mm-40 -130.94 -18.71 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.627 HG23 HG21 ' A' ' 26' ' ' ILE . 93.8 mt -95.91 -33.23 4.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.5 m -72.67 -40.62 66.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 41' ' ' MET . 0.0 OUTLIER -54.85 -31.19 59.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.433 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 40.6 mtm -78.73 -53.29 7.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.741 HD22 ' HB3' ' A' ' 22' ' ' ARG . 66.4 mt -51.64 -47.17 63.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -35.66 -55.84 1.03 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.07 -44.03 15.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -59.62 -43.83 93.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.477 ' CE3' HD12 ' A' ' 49' ' ' LEU . 65.4 t-105 -55.25 -40.6 71.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.5 t -77.47 -26.18 51.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -94.38 11.16 31.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.477 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.7 mt -70.92 178.72 3.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -93.78 160.58 32.35 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 1.72 4.15 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.378 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.5 -39.57 3.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -73.34 -53.88 9.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.427 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 24.2 tttt -51.5 -42.21 61.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.424 ' NE2' HD12 ' A' ' 58' ' ' LEU . 50.4 tp60 -69.45 -51.32 37.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.3 ttm-85 -49.8 -47.04 51.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -50.65 -44.75 57.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.424 HD12 ' NE2' ' A' ' 55' ' ' GLN . 33.3 mt -56.44 -55.14 37.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -57.71 -51.57 69.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -47.07 -48.6 22.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.401 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -63.3 -54.54 35.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 63' ' ' LYS . 13.4 mm-40 -40.04 -52.26 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 62' ' ' GLU . 38.0 mtmt -36.24 -49.08 0.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -58.77 -49.72 76.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -42.84 -33.1 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -67.54 -66.43 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -53.9 -34.31 59.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.496 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 0.6 OUTLIER -71.98 -38.65 69.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.8 mt -53.78 -61.26 2.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 71' ' ' GLU . 4.7 pttm -56.37 -32.73 65.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 30.8 mt-10 -67.01 -6.95 19.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.468 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 28.1 tp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.562 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 52.7 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.799 0.25 . . . . 0.0 112.309 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -61.99 102.79 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.23 110.37 1.64 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.563 0.697 . . . . 0.0 111.091 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 132.96 24.38 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.314 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.879 HG23 ' HG3' ' A' ' 17' ' ' ARG . 27.8 m -54.84 147.67 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.5 p -76.45 169.33 18.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.74 -36.29 85.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -62.24 -36.85 83.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.017 0.437 . . . . 0.0 110.952 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.668 HG12 ' ND2' ' A' ' 20' ' ' ASN . 67.9 t -81.89 -48.72 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.166 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.879 ' HG3' HG23 ' A' ' 12' ' ' VAL . 44.0 mtt-85 -41.34 -31.66 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.6 OUTLIER -83.62 -36.21 24.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 16' ' ' VAL . 91.4 mt -69.95 -30.17 67.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.668 ' ND2' HG12 ' A' ' 16' ' ' VAL . 18.4 m-20 -70.3 -60.63 2.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.9 -47.14 77.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.643 ' HB3' HD22 ' A' ' 42' ' ' LEU . 33.0 mmt180 -63.79 -47.74 79.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.922 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.511 ' HA ' HD11 ' A' ' 42' ' ' LEU . 1.5 tpt180 -45.04 -24.28 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -82.28 -51.26 8.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -47.42 -36.89 10.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 29' ' ' ARG . 14.0 mm -70.47 -57.86 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' ILE . 9.2 mmt85 -37.24 -39.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.5 m -65.0 -44.26 89.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' ILE . 50.4 mtt180 -77.81 -54.72 6.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -108.3 80.31 1.1 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.65 0.738 . . . . 0.0 110.834 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -1.79 9.04 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.91 -19.05 16.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 37' ' ' GLU . 7.8 mt -73.21 120.58 81.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.638 0.732 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.5 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.1 Cg_endo -69.74 -162.86 0.1 OUTLIER 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.617 2.212 . . . . 0.0 112.334 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.629 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -73.68 -58.64 2.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.846 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.4 Cg_endo -69.75 19.6 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.319 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.528 ' HB3' HD22 ' A' ' 33' ' ' LEU . 19.9 mm-40 -124.64 -22.5 4.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.7 mt -93.02 -50.35 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.059 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 m -56.62 -28.2 59.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 41' ' ' MET . 0.0 OUTLIER -70.86 -36.77 72.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.466 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 33.7 mtm -70.03 -52.2 26.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' A' ' 22' ' ' ARG . 23.3 mt -53.48 -42.32 67.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.94 -56.17 3.22 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.456 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.69 -40.25 59.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.773 0.32 . . . . 0.0 111.092 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -61.96 -48.18 81.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.753 ' CE3' HD12 ' A' ' 49' ' ' LEU . 57.8 t-105 -48.42 -39.77 23.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.2 t -75.99 -21.73 56.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -94.66 -3.3 49.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.753 HD12 ' CE3' ' A' ' 46' ' ' TRP . 11.5 mt -57.78 158.51 6.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -74.8 157.29 85.92 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.572 0.701 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 1.29 4.52 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.7 2.266 . . . . 0.0 112.415 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.27 -31.99 6.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -84.19 -52.83 5.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.477 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 24.1 tttm -50.12 -41.27 48.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -67.21 -45.28 77.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.5 ttt-85 -52.43 -46.3 66.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -54.92 -33.8 62.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.1 mt -67.01 -56.03 11.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -59.53 -54.94 40.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -40.15 -52.82 2.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.28 -39.88 80.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.22 -58.79 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -41.48 -34.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -79.09 -45.29 20.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -46.55 -33.72 4.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -52.21 -47.98 65.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.406 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -58.75 -47.82 83.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.562 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -59.02 -42.45 90.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.854 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 70' ' ' LYS . 13.1 mt -53.37 -73.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 69' ' ' LEU . 6.2 ptpt -35.02 -55.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 72' ' ' LEU . 35.3 mm-40 -51.42 -53.45 36.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.48 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 6.7 tp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.57 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.814 0.256 . . . . 0.0 112.353 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -85.77 111.97 20.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.21 114.58 5.07 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.574 0.702 . . . . 0.0 111.074 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 172.51 12.5 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.0 m -93.21 168.43 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 14' ' ' GLY . 78.9 p -95.38 146.48 24.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -35.57 -37.44 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.552 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.521 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 9.4 t80 -64.15 -54.54 32.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 110.906 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.841 ' HA ' HD12 ' A' ' 19' ' ' LEU . 92.0 t -66.94 -46.73 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 60' ' ' GLU . 6.6 ttp180 -41.74 -52.47 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.491 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 1.5 t80 -60.09 -40.91 91.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.841 HD12 ' HA ' ' A' ' 16' ' ' VAL . 24.6 mt -61.56 -41.56 97.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -67.3 -32.38 73.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -70.2 -48.65 56.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.504 ' CB ' HD22 ' A' ' 42' ' ' LEU . 3.0 mmp_? -70.79 -35.58 72.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -38.85 -25.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 22' ' ' ARG . 6.0 tp10 -80.91 -53.99 5.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.412 ' OE1' ' NH1' ' A' ' 22' ' ' ARG . 6.0 pt20 -54.08 -37.43 64.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.724 HG21 HG23 ' A' ' 38' ' ' ILE . 40.8 mm -69.72 -39.83 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.9 mmm-85 -58.29 -54.45 46.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.8 m -46.42 -45.59 18.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 -72.24 -60.85 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -110.89 79.24 1.81 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.588 0.708 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -1.53 8.58 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.762 2.308 . . . . 0.0 112.383 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -100.37 -19.2 16.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 33' ' ' LEU . 8.9 mt -67.85 116.64 40.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.615 0.721 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.496 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.2 Cg_endo -69.7 163.97 36.21 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.751 2.301 . . . . 0.0 112.329 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.596 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -42.34 -58.0 3.98 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.6 0.714 . . . . 0.0 110.86 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.5 Cg_endo -69.76 19.35 0.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.697 2.264 . . . . 0.0 112.383 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.496 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 13.0 mm-40 -130.81 -24.44 2.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.724 HG23 HG21 ' A' ' 26' ' ' ILE . 96.4 mt -88.64 -38.51 11.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 m -66.73 -45.02 80.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 41' ' ' MET . 12.7 ptmt -51.91 -32.19 31.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.433 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 40.9 mtm -75.7 -42.86 49.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.504 HD22 ' CB ' ' A' ' 22' ' ' ARG . 68.8 mt -66.25 -42.03 89.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -47.76 -23.06 2.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.541 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.4 -36.61 29.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.72 0.295 . . . . 0.0 111.064 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -63.85 -41.17 97.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.597 ' CE3' HD12 ' A' ' 49' ' ' LEU . 71.5 t-105 -52.59 -42.77 64.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.9 t -73.38 -26.18 60.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.892 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -100.11 13.08 35.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.597 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.0 mt -72.94 159.84 33.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -74.73 157.34 85.98 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 0.0 110.949 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 0.65 5.34 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.297 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.88 -33.89 6.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -80.36 -53.77 6.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.567 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 15.2 tttt -52.13 -41.92 62.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -68.99 -49.0 61.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.983 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -54.12 -38.79 65.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -59.53 -36.1 75.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.9 mt -65.77 -59.98 3.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.98 -51.03 71.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' HB3' ' NH1' ' A' ' 17' ' ' ARG . 4.2 mm-40 -46.2 -56.5 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.24 -51.84 65.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.061 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -43.22 -53.52 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.793 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.408 ' CE ' ' HA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -42.49 -40.41 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -66.16 -42.64 88.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.824 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -51.47 -52.68 44.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.805 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -45.78 -43.94 13.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.71 -54.09 50.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.57 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -53.74 -42.23 67.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.894 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 mt -54.07 -57.25 11.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -48.86 -59.3 3.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 72' ' ' LEU . 6.6 mm-40 -43.7 -57.73 3.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.488 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 8.8 tp . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.571 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.194 0 CA-C-O 120.849 0.27 . . . . 0.0 112.356 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.405 ' C ' ' CE2' ' A' ' 68' ' ' TYR . 16.9 ttpp -92.62 109.53 20.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.522 ' N ' ' CE2' ' A' ' 68' ' ' TYR . . . -57.27 109.65 1.89 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.584 0.707 . . . . 0.0 111.085 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 10' ' ' ALA . 53.8 Cg_endo -69.72 -170.94 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.394 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.5 m -99.62 137.48 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 13' ' ' THR . 2.0 t -87.58 168.69 12.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.413 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -44.89 -20.67 0.24 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.517 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 18.0 t80 -78.55 -69.83 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.917 0.389 . . . . 0.0 110.935 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.699 ' HA ' HD12 ' A' ' 19' ' ' LEU . 95.9 t -57.77 -37.82 61.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.063 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.4 ttt-85 -53.94 -40.11 66.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -82.34 -27.13 32.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.902 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 16' ' ' VAL . 65.1 mt -65.45 -44.38 87.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -68.07 -48.52 65.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -51.93 -50.22 61.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.559 ' HB3' HD22 ' A' ' 42' ' ' LEU . 15.4 mmm180 -73.56 -42.65 61.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.401 ' HD2' HG21 ' A' ' 38' ' ' ILE . 7.1 tpt85 -40.66 -25.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 22' ' ' ARG . 7.8 tt0 -81.18 -55.32 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -46.42 -35.89 5.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.8 mm -69.53 -54.17 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.072 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -42.11 -36.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.0 m -66.82 -44.05 82.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.171 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -76.22 -54.39 6.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -109.0 80.98 1.41 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.561 0.696 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.85 -1.17 8.1 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.738 2.292 . . . . 0.0 112.288 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -100.08 -23.67 14.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.485 HD22 ' HB3' ' A' ' 37' ' ' GLU . 7.0 mt -69.07 119.52 70.52 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.605 0.717 . . . . 0.0 110.952 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.49 ' CG ' ' HG3' ' A' ' 37' ' ' GLU . 52.9 Cg_endo -69.8 -163.17 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.576 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.74 -58.63 2.68 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.588 0.708 . . . . 0.0 110.917 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.1 Cg_endo -69.78 19.6 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.65 2.233 . . . . 0.0 112.352 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.49 ' HG3' ' CG ' ' A' ' 34' ' ' PRO . 6.6 mm-40 -124.79 -22.73 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.401 HG21 ' HD2' ' A' ' 23' ' ' ARG . 56.9 mt -92.9 -50.59 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 m -55.23 -26.68 41.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 41' ' ' MET . 8.7 ptmt -72.57 -34.62 67.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.446 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 44.1 mtm -71.49 -51.32 24.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.559 HD22 ' HB3' ' A' ' 22' ' ' ARG . 72.3 mt -51.2 -48.49 61.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -38.31 -43.18 1.42 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.441 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.17 -35.99 80.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.738 0.304 . . . . 0.0 111.083 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 42' ' ' LEU . 16.8 mt-10 -65.18 -44.12 89.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.642 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.6 t-105 -48.64 -38.93 22.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.6 t -77.41 -32.46 54.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -89.74 14.93 10.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.642 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.4 mt -74.47 165.47 25.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -81.59 158.03 69.06 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.537 0.684 . . . . 0.0 110.978 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 2.17 3.77 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.704 2.269 . . . . 0.0 112.304 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.51 -37.13 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -77.67 -54.4 6.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.521 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 21.9 tttt -53.55 -46.89 70.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -63.71 -37.31 86.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -67.05 -39.34 86.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -60.54 -44.71 95.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.7 mt -57.04 -49.4 75.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -62.16 -53.05 60.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -48.99 -55.08 13.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.793 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.413 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -60.81 -45.48 94.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' LYS . 14.2 mt-10 -45.7 -54.95 7.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -42.26 -34.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -90.95 -24.54 20.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 62' ' ' GLU . 45.0 tttp -70.75 -42.15 70.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.873 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.2 pt20 -67.51 -43.33 81.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -54.44 -47.37 72.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.571 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -70.4 -38.24 74.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.821 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.873 HD12 ' HA ' ' A' ' 66' ' ' GLN . 9.2 mt -50.37 -61.94 1.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -53.38 -28.36 28.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -77.81 8.57 4.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.474 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 40.6 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.549 ' HG2' ' CE2' ' A' ' 68' ' ' TYR . 53.3 Cg_endo . . . . . 0 N--CA 1.465 -0.155 0 CA-C-O 120.846 0.269 . . . . 0.0 112.346 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -67.5 95.45 0.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.62 122.28 15.88 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 0.0 111.118 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 161.35 46.25 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.737 2.291 . . . . 0.0 112.366 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.3 m -78.16 132.33 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 16' ' ' VAL . 38.4 p -57.95 138.39 55.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -36.53 -32.43 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.537 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.457 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 6.6 t80 -69.49 -43.2 73.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.62 ' HA ' HD12 ' A' ' 19' ' ' LEU . 74.9 t -73.5 -50.53 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 -39.16 -46.59 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -64.32 -41.78 96.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.62 HD12 ' HA ' ' A' ' 16' ' ' VAL . 65.7 mt -58.89 -49.93 75.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -60.23 -54.28 47.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -55.1 -45.46 75.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.541 ' HB3' HD22 ' A' ' 42' ' ' LEU . 31.0 mmt-85 -75.43 -26.02 57.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.542 ' HA ' HD11 ' A' ' 42' ' ' LEU . 16.6 ttm-85 -48.94 -59.7 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -39.77 -58.43 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -48.56 -36.22 15.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.677 ' CG1' HD21 ' A' ' 42' ' ' LEU . 43.4 mm -76.16 -40.98 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -61.03 -41.87 97.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.0 m -59.26 -43.2 92.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.9 mtt85 -73.4 -52.61 13.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -119.71 81.48 25.36 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.545 0.688 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.79 -0.72 7.34 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.623 2.215 . . . . 0.0 112.274 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -100.45 -29.9 12.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 37' ' ' GLU . 8.7 mt -53.67 117.07 11.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.629 0.728 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.508 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.5 Cg_endo -69.71 163.41 38.34 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.38 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.605 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -41.94 -57.97 3.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.622 0.725 . . . . 0.0 110.903 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.8 Cg_endo -69.72 19.27 0.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.739 2.293 . . . . 0.0 112.376 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.508 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 3.7 mm-40 -130.85 -20.34 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.602 HG23 HG21 ' A' ' 26' ' ' ILE . 96.9 mt -92.67 -32.37 4.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.6 m -73.46 -40.09 64.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -58.72 -28.1 65.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.8 mtm -80.02 -50.11 10.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.677 HD21 ' CG1' ' A' ' 26' ' ' ILE . 79.8 mt -65.39 -29.97 70.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.04 -50.96 61.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.32 -32.81 39.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.777 0.322 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -67.36 -43.94 80.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.669 ' CE3' HD12 ' A' ' 49' ' ' LEU . 71.7 t-105 -56.75 -40.72 76.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.5 t -72.48 -22.45 61.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.827 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -102.8 19.84 18.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.669 HD12 ' CE3' ' A' ' 46' ' ' TRP . 11.7 mt -79.11 160.43 27.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -78.76 159.39 74.06 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.568 0.699 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 2.03 3.94 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.313 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.29 -36.61 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -78.33 -54.37 6.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.516 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 6.9 tttp -48.74 -42.88 36.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.961 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.473 ' HA ' HD12 ' A' ' 58' ' ' LEU . 20.9 tp60 -66.07 -46.34 78.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.7 ttm105 -53.23 -44.2 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -57.76 -45.8 85.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 55' ' ' GLN . 25.9 mt -57.36 -41.13 79.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -68.66 -47.08 67.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -48.59 -48.3 39.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.4 ' HB2' ' HA2' ' A' ' 14' ' ' GLY . . . -70.35 -46.95 63.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.056 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -48.31 -56.63 7.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -43.32 -46.7 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -60.5 -42.36 96.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 66' ' ' GLN . 31.7 tptt -47.1 -53.42 12.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 65' ' ' LYS . 13.8 mm-40 -36.23 -51.95 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -55.84 -59.27 5.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.549 ' CE2' ' HG2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -50.41 -55.11 17.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.877 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.493 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 24.3 mt -45.64 -58.0 3.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -48.19 -60.97 2.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' A' ' 72' ' ' LEU . 13.0 mm-40 -45.91 -56.86 4.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.483 ' C ' ' O ' ' A' ' 71' ' ' GLU . 5.2 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.491 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.842 0.268 . . . . 0.0 112.388 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -93.67 109.75 21.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.39 110.51 1.03 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.537 0.684 . . . . 0.0 111.093 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.517 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.8 167.59 24.05 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.367 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.445 HG12 HG11 ' A' ' 16' ' ' VAL . 35.5 m -82.28 127.66 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 14' ' ' GLY . 6.5 t -82.14 162.47 22.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.467 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -34.84 -37.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.548 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.526 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 25.5 t80 -63.61 -60.98 2.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.371 . . . . 0.0 110.918 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.445 HG11 HG12 ' A' ' 12' ' ' VAL . 55.5 t -65.31 -52.18 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.1 ttt-85 -38.94 -44.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -73.74 -45.48 51.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.526 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 6.0 mt -52.01 -40.5 61.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -67.27 -64.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -41.67 -43.43 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.441 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 41.8 mmt-85 -78.62 -38.16 40.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.643 ' HA ' HD11 ' A' ' 42' ' ' LEU . 3.3 tmt_? -43.32 -39.51 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -63.77 -39.74 95.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -62.99 -35.79 81.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.598 HG21 HG23 ' A' ' 38' ' ' ILE . 31.4 mm -71.78 -37.54 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -68.51 -42.0 79.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 m -59.77 -37.05 77.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -82.2 -48.84 10.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -122.15 80.94 44.04 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.606 0.717 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -0.68 7.34 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -100.28 -26.21 13.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' A' ' 37' ' ' GLU . 8.8 mt -57.25 118.68 26.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.651 0.738 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.488 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.3 Cg_endo -69.72 163.62 37.54 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.72 2.28 . . . . 0.0 112.316 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.566 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -42.09 -57.95 3.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.607 0.718 . . . . 0.0 110.807 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.3 Cg_endo -69.87 19.34 0.19 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.488 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 11.1 mm-40 -130.57 -20.32 2.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.598 HG23 HG21 ' A' ' 26' ' ' ILE . 99.3 mt -93.14 -36.0 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.9 m -71.57 -37.98 71.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -32.95 70.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.527 ' HE3' HD12 ' A' ' 26' ' ' ILE . 25.8 mtm -77.42 -32.65 54.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.643 HD11 ' HA ' ' A' ' 23' ' ' ARG . 72.6 mt -77.21 -61.08 2.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -38.91 -40.38 1.07 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.466 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.84 -38.75 92.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.672 0.272 . . . . 0.0 111.084 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' LEU . 31.0 mm-40 -63.84 -44.64 92.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.568 ' CE3' HD12 ' A' ' 49' ' ' LEU . 60.8 t-105 -44.96 -40.93 6.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.7 t -74.1 -28.89 61.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.823 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -89.25 16.47 7.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.568 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.0 mt -77.94 160.84 27.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.977 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -78.65 159.05 75.04 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.555 0.693 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 2.04 3.92 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.691 2.26 . . . . 0.0 112.308 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.65 -37.6 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -76.61 -55.15 5.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.488 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 6.0 tttp -48.6 -47.16 40.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -61.79 -49.47 76.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -50.51 -56.42 11.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -44.74 -57.37 3.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 28.5 mt -48.31 -39.65 22.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -78.64 -25.95 45.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -73.79 -19.98 60.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.467 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -102.07 -45.06 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -46.55 -31.87 3.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -69.76 -41.83 74.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -70.02 -30.95 68.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.453 ' HG2' ' CD2' ' A' ' 69' ' ' LEU . 5.0 ttpm? -55.86 -45.11 78.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -54.46 -35.81 63.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.8 -17.39 63.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.517 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 1.3 t80 -92.55 -31.54 15.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 69' ' ' LEU . 3.4 mm? -59.7 -57.07 14.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -54.21 -42.06 69.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.91 -10.39 5.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.476 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 14.5 tp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 m -121.11 131.78 54.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.84 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 p -117.86 159.83 22.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.12 133.12 0.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -157.17 147.28 20.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.388 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t 39.06 50.19 1.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.01 -172.53 19.05 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.55 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 54.1 Cg_endo -69.66 143.1 50.23 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.65 2.234 . . . . 0.0 112.357 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.3 ttmm -73.59 99.09 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.558 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -45.11 116.03 2.75 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.566 0.698 . . . . 0.0 111.148 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.453 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 53.7 Cg_endo -69.76 152.02 69.2 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.232 . . . . 0.0 112.385 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.858 HG11 HD21 ' A' ' 20' ' ' ASN . 27.2 m -68.9 135.03 29.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.065 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.7 p -58.98 175.88 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.01 -32.53 82.81 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.5 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 7.5 t80 -71.0 -38.26 72.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.9 0.381 . . . . 0.0 110.962 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.521 ' HA ' HD12 ' A' ' 19' ' ' LEU . 57.4 t -80.89 -36.45 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.446 ' HE ' ' HB2' ' A' ' 61' ' ' ALA . 14.9 ttm-85 -43.93 -49.61 8.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.535 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 0.6 OUTLIER -67.31 -34.13 76.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 16' ' ' VAL . 12.0 mt -70.5 -29.6 66.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.858 HD21 HG11 ' A' ' 12' ' ' VAL . 22.3 m-20 -60.58 -60.23 4.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -60.86 -50.49 73.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.535 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 12.5 mmp_? -54.04 -44.84 71.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.422 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 5.1 tmm_? -38.62 -41.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -66.12 -51.12 60.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -42.92 -47.95 5.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.928 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.601 HG21 HG23 ' A' ' 38' ' ' ILE . 37.4 mm -64.77 -58.89 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 26' ' ' ILE . 19.7 mmt180 -35.84 -43.53 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.8 m -61.85 -43.2 99.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 26' ' ' ILE . 44.5 mtt180 -77.29 -56.46 4.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -108.12 77.05 0.65 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.583 0.706 . . . . 0.0 110.823 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -1.59 8.79 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.628 2.219 . . . . 0.0 112.407 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -101.5 -27.9 12.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 37' ' ' GLU . 9.7 mt -63.48 125.34 87.13 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.592 0.71 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.49 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.7 Cg_endo -69.82 -163.35 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.722 2.282 . . . . 0.0 112.368 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.56 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.24 -58.82 2.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 110.829 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.9 Cg_endo -69.74 19.47 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.311 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.614 ' HB3' HD22 ' A' ' 33' ' ' LEU . 5.7 mm-40 -125.91 -25.42 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.601 HG23 HG21 ' A' ' 26' ' ' ILE . 70.5 mt -88.81 -44.71 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.0 m -62.53 -39.27 93.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -58.26 -27.94 64.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.1 mtm -79.86 -48.35 13.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.461 HD21 ' CG1' ' A' ' 26' ' ' ILE . 74.2 mt -57.18 -49.08 77.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -35.83 -53.65 1.14 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.47 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.88 -41.97 46.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.707 0.289 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 42' ' ' LEU . 11.6 mm-40 -59.44 -49.48 77.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.636 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.9 t-105 -45.08 -36.8 3.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 t -78.27 -29.7 48.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.806 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 45' ' ' GLU . 50.3 mtmt -93.77 15.1 17.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.636 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.4 mt -72.72 169.13 17.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -88.8 159.28 46.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.548 0.689 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 0.34 5.79 Favored 'Trans proline' 0 C--N 1.34 0.113 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -109.53 -37.53 5.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -78.29 -53.13 7.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.588 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 16.2 tttt -53.47 -46.04 69.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.563 ' HA ' HD12 ' A' ' 58' ' ' LEU . 12.3 tm0? -63.75 -45.37 90.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -59.83 -55.84 29.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -41.57 -48.92 4.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 55' ' ' GLN . 6.1 mt -59.56 -36.55 76.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.93 -41.66 64.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -56.32 -29.59 61.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.446 ' HB2' ' HE ' ' A' ' 17' ' ' ARG . . . -87.16 12.02 12.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.066 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -99.48 -60.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.422 ' HZ3' ' HB2' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -55.04 -50.4 69.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.935 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -57.85 -50.0 74.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' GLN . 23.9 ttpt -40.89 -57.81 1.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 65' ' ' LYS . 81.4 mt-30 -36.97 -51.63 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.434 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 10.5 tt0 -48.56 -50.79 30.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.558 ' CE2' ' HA ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -63.07 -46.55 86.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.801 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.529 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 26.3 mt -45.82 -58.35 3.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.757 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 15.7 ptpt -57.82 -30.6 65.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.13 4.92 9.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.477 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 27.5 tp -105.52 -46.36 4.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.529 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 5.1 p-90 -98.97 -54.19 3.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.757 ' HB3' ' O ' ' A' ' 70' ' ' LYS . . . -44.12 -22.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.408 ' N ' ' C ' ' A' ' 73' ' ' TRP . 3.4 t80 -94.86 -52.54 4.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.004 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.436 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 33.1 mt-30 -49.21 -42.51 40.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.942 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.1 68.13 3.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -147.14 142.73 27.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -42.39 -48.53 5.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.568 ' HA ' HG12 ' A' ' 83' ' ' VAL . . . -53.71 -35.13 60.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.436 ' CD1' ' HA ' ' A' ' 76' ' ' GLN . 60.3 t80 -63.94 -46.13 86.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -74.48 -57.64 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.579 ' O ' HG13 ' A' ' 83' ' ' VAL . 6.9 p -55.09 119.77 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.144 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 t -157.44 179.61 9.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.8 t -81.86 40.52 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -110.57 170.82 7.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 94.2 p -139.18 156.49 47.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.783 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 142.96 -91.17 0.17 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.545 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 108.91 2.2 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.72 2.28 . . . . 0.0 112.311 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 91' ' ' SER . 2.6 t -131.69 87.82 2.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 90' ' ' SER . 35.9 m 37.46 46.12 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m 48.06 44.24 18.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.85 0.357 . . . . 0.0 110.838 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 m -100.82 108.54 20.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.781 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.18 144.46 14.97 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.423 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 p -161.87 175.91 11.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.379 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.3 p -76.33 138.35 40.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.61 172.97 2.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.541 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HG3' ' CA ' ' A' ' 72' ' ' LEU . 54.1 Cg_endo -69.72 145.66 58.07 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -83.68 111.27 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.561 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -58.83 128.6 84.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.589 0.709 . . . . 0.0 111.111 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 159.96 51.47 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.745 2.296 . . . . 0.0 112.324 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.4 m -76.89 142.77 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 14' ' ' GLY . 16.1 p -70.0 143.22 52.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -35.24 -36.79 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -61.24 -59.73 4.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.955 0.407 . . . . 0.0 110.936 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 47.4 t -62.04 -42.12 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.177 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.1 ttt-85 -45.82 -44.63 14.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.557 ' CE2' ' HG3' ' A' ' 22' ' ' ARG . 1.7 t80 -70.11 -42.63 72.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.468 HD22 HG23 ' A' ' 39' ' ' THR . 26.2 mt -51.61 -51.99 51.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -66.56 -48.31 70.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -49.13 -46.21 44.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.557 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 10.1 mmm180 -82.23 -32.62 29.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -39.53 -43.77 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -66.05 -46.09 79.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -50.97 -39.75 56.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.761 HG21 HG23 ' A' ' 38' ' ' ILE . 38.3 mm -69.77 -59.67 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 26' ' ' ILE . 13.5 mmm180 -36.4 -33.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 26' ' ' ILE . 86.0 m -68.3 -45.65 72.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 26' ' ' ILE . 32.6 mtt180 -80.43 -51.69 8.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -107.12 72.98 0.34 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.507 0.67 . . . . 0.0 110.785 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.421 ' CD ' ' O ' ' A' ' 29' ' ' ARG . 53.7 Cg_endo -69.86 -2.82 10.89 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.622 2.215 . . . . 0.0 112.359 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.28 -26.88 13.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.609 HD22 ' HB3' ' A' ' 37' ' ' GLU . 9.8 mt -65.7 125.55 89.99 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 110.888 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.488 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.0 Cg_endo -69.79 -163.26 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.333 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.525 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -72.13 -58.93 2.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.622 0.725 . . . . 0.0 110.854 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.6 Cg_endo -69.69 19.5 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.73 2.286 . . . . 0.0 112.339 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.609 ' HB3' HD22 ' A' ' 33' ' ' LEU . 20.2 mm-40 -126.05 -26.45 3.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.761 HG23 HG21 ' A' ' 26' ' ' ILE . 71.5 mt -87.05 -42.55 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.468 HG23 HD22 ' A' ' 19' ' ' LEU . 38.5 m -60.88 -48.92 79.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 41' ' ' MET . 18.2 pttm -46.93 -34.87 5.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.451 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 56.1 mtm -73.02 -50.33 23.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.47 -50.37 73.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.32 -48.45 5.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.533 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.6 -34.8 73.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.741 0.305 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.22 -35.8 76.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.603 ' CE3' HD12 ' A' ' 49' ' ' LEU . 56.6 t-105 -56.15 -42.75 77.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 t -73.26 -23.1 60.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.794 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -96.84 9.27 42.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.603 HD12 ' CE3' ' A' ' 46' ' ' TRP . 11.7 mt -70.91 159.07 35.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -76.56 157.16 82.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.731 . . . . 0.0 110.86 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 2.76 3.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.55 -36.01 5.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.118 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -80.7 -53.13 6.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.594 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 18.8 tttt -52.9 -41.31 64.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -68.85 -31.23 70.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 -70.89 -39.83 72.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -58.8 -48.6 80.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 26.3 mt -52.02 -54.91 24.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -55.1 -52.23 63.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -39.73 -55.65 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.05 -39.18 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -62.24 -57.5 11.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -44.63 -33.33 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -70.76 -37.52 73.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.054 0.454 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 67' ' ' GLN . 9.1 ttmt -62.87 -53.27 56.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' LYS . 1.1 mp0 -34.26 -34.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' LYS . 4.1 tt0 -86.1 -43.94 12.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.561 ' CE2' ' HA ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -60.61 -15.47 28.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.49 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 15.2 mt -70.35 -60.38 2.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.849 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -52.52 -26.88 14.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.807 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -80.79 11.37 3.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.43 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 30.7 tp -117.87 -38.81 3.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.49 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 5.4 p-90 -107.51 -43.3 4.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.849 ' HB3' ' O ' ' A' ' 70' ' ' LYS . . . -59.2 -15.76 16.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.05 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -103.52 -48.55 3.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.899 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -53.19 -25.27 13.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.36 23.88 6.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.8 m -104.11 156.05 18.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -57.71 -40.73 80.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.37 -18.95 12.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -80.04 -37.97 32.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -75.25 -49.94 17.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.6 p -46.43 -38.42 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.0 t -47.56 173.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 38.1 p -96.71 92.96 6.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -160.18 123.9 3.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.811 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.4 m -47.96 165.04 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.22 176.46 48.07 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 154.12 68.3 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.704 2.269 . . . . 0.0 112.394 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.4 t -117.57 86.25 2.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.826 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.1 m -42.6 -50.16 5.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.526 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.4 t -133.19 101.99 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.919 0.39 . . . . 0.0 110.782 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.7 p -88.21 -30.97 19.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.29 47.48 34.51 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.447 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -52.7 136.91 32.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.952 0.406 . . . . 0.0 110.799 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -78.92 91.43 4.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.92 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.79 -161.55 13.66 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.449 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.568 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 54.2 Cg_endo -69.72 140.84 43.83 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.67 2.246 . . . . 0.0 112.401 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -78.55 91.8 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.84 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.533 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . . . -42.13 120.61 2.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 111.064 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 166.88 26.22 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.632 2.221 . . . . 0.0 112.323 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.8 m -82.51 143.5 11.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 14' ' ' GLY . 60.5 p -71.54 141.39 50.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -34.2 -37.64 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.499 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -64.65 -49.01 72.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.956 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.491 ' HA ' HD12 ' A' ' 19' ' ' LEU . 95.5 t -70.14 -45.66 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.204 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -41.12 -61.35 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -52.37 -47.4 66.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 16' ' ' VAL . 88.7 mt -53.67 -43.72 69.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.474 ' ND2' HG12 ' A' ' 16' ' ' VAL . 9.1 m-80 -67.57 -56.25 10.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.798 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -46.92 -41.56 16.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -82.16 -34.47 29.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -39.81 -48.61 2.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -62.69 -40.1 96.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -57.33 -40.35 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.641 HG21 HG23 ' A' ' 38' ' ' ILE . 41.2 mm -67.58 -61.3 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 26' ' ' ILE . 27.5 mmt180 -34.13 -47.03 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.0 m -56.51 -44.96 81.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.047 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 26' ' ' ILE . 2.9 mtt-85 -77.11 -55.02 5.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -109.26 75.16 0.69 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.563 0.697 . . . . 0.0 110.834 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 -1.9 9.33 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.703 2.269 . . . . 0.0 112.332 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.63 -27.8 13.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.6 HD22 ' HB3' ' A' ' 37' ' ' GLU . 10.4 mt -63.21 126.24 88.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.494 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.2 Cg_endo -69.7 -163.21 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.565 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.38 -58.79 2.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.609 0.719 . . . . 0.0 110.851 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.3 Cg_endo -69.78 19.53 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.302 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.6 ' HB3' HD22 ' A' ' 33' ' ' LEU . 41.0 mm-40 -126.16 -25.17 3.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.641 HG23 HG21 ' A' ' 26' ' ' ILE . 74.5 mt -88.96 -43.25 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.9 m -64.6 -38.51 91.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -57.48 -35.8 70.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.2 mtm -73.25 -40.13 64.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.408 HD13 ' O ' ' A' ' 19' ' ' LEU . 42.5 mt -66.18 -41.97 89.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.9 -48.97 36.75 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.16 -41.64 75.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.77 0.319 . . . . 0.0 111.081 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -60.63 -40.18 90.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.567 ' CE3' HD12 ' A' ' 49' ' ' LEU . 63.1 t-105 -56.94 -37.65 71.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.4 t -77.34 -26.16 51.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -94.9 6.83 47.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.567 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.4 mt -67.26 171.14 6.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.402 ' CD ' ' HD2' ' A' ' 51' ' ' PRO . 7.1 mm100 -89.74 160.19 41.84 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.613 0.72 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.402 ' HD2' ' CD ' ' A' ' 50' ' ' GLN . 54.0 Cg_endo -69.75 0.91 4.95 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.73 -35.81 5.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -80.0 -53.39 6.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.524 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 23.3 tttt -52.23 -42.96 64.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -68.43 -46.97 68.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -53.43 -35.48 60.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -64.54 -45.52 86.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 26.0 mt -56.32 -54.82 40.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -55.8 -58.03 9.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -42.71 -45.27 4.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.94 -45.43 74.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.032 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -46.82 -61.31 1.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -45.39 -53.67 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -48.02 -46.35 32.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -42.69 -57.0 2.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.406 ' HB3' ' NZ ' ' A' ' 70' ' ' LYS . 25.1 mt-30 -39.31 -62.6 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' GLN . 5.8 tt0 -37.54 -35.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.568 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -82.92 -44.19 15.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.59 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 11.2 mt -51.22 -56.62 11.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.525 ' HA ' ' CE2' ' A' ' 73' ' ' TRP . 50.4 mttp -49.77 -62.64 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.465 ' O ' ' C ' ' A' ' 72' ' ' LEU . 21.5 mm-40 -42.16 -57.46 2.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.48 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 14.1 tp -32.16 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.59 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 12.7 p-90 -73.13 -54.82 7.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -34.17 -33.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.49 ' N ' ' O ' ' A' ' 73' ' ' TRP . 1.5 t80 -85.73 -50.94 6.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -49.0 -25.92 2.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -76.79 -36.02 57.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -47.59 126.8 10.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 12.7 pt-20 -46.94 -50.27 19.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.464 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -40.89 -26.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.071 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' GLU . 78.2 t80 -71.08 -65.44 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.985 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.56 -47.3 39.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.2 p -63.54 -31.97 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.0 m -69.23 94.14 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.2 p -89.83 144.73 25.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -107.46 106.45 16.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.3 t -130.11 179.32 5.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -121.02 87.21 0.41 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 172.4 12.72 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.738 2.292 . . . . 0.0 112.273 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 69.0 m -105.02 -177.59 3.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.3 t -89.85 92.19 8.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.921 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -65.58 148.78 51.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 0.0 110.879 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -109.78 117.09 32.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.784 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.33 119.62 3.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 m -102.84 -45.21 5.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.942 0.401 . . . . 0.0 110.893 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -105.39 172.61 6.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.27 165.4 35.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.525 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.563 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 55.0 Cg_endo -69.68 144.22 53.78 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.694 2.263 . . . . 0.0 112.401 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -83.15 100.31 10.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -41.09 105.43 0.38 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 111.092 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.406 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.78 130.91 20.14 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.398 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.4 m -48.93 138.45 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.1 t -83.39 163.09 20.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -40.76 -38.65 1.64 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.459 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.507 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 18.7 t80 -57.86 -64.81 0.78 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.946 0.403 . . . . 0.0 110.845 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.488 ' HA ' HD12 ' A' ' 19' ' ' LEU . 49.2 t -61.66 -52.92 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.202 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' VAL . 17.2 ttt85 -38.04 -48.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -70.63 -38.06 73.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.507 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 6.8 mt -59.5 -41.96 91.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.439 HD21 HG12 ' A' ' 16' ' ' VAL . 10.7 m-20 -66.33 -63.21 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -45.42 -44.89 12.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 25' ' ' GLN . 11.2 mmm180 -73.32 -41.54 63.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.413 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 5.4 tmm_? -37.59 -47.11 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.84 -39.61 89.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 22' ' ' ARG . 16.4 mm-40 -61.33 -31.59 71.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.745 HG21 HG23 ' A' ' 38' ' ' ILE . 36.7 mm -78.98 -38.99 21.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.477 ' HD3' ' CD1' ' A' ' 38' ' ' ILE . 2.7 mmm180 -65.08 -35.85 82.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.4 m -65.59 -36.46 83.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.21 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -81.81 -46.05 14.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -123.56 79.73 54.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.594 0.712 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -1.39 8.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.35 -20.45 15.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.622 HD22 ' HB3' ' A' ' 37' ' ' GLU . 8.5 mt -65.81 125.22 89.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.501 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.2 Cg_endo -69.79 -163.15 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.678 2.252 . . . . 0.0 112.323 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.553 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.53 -58.84 2.74 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.716 0.769 . . . . 0.0 110.899 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.2 Cg_endo -69.78 19.55 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.705 2.27 . . . . 0.0 112.379 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.622 ' HB3' HD22 ' A' ' 33' ' ' LEU . 5.1 mm-40 -125.98 -23.12 4.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.745 HG23 HG21 ' A' ' 26' ' ' ILE . 93.6 mt -92.14 -43.24 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.5 m -66.21 -39.63 89.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.212 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -56.64 -31.27 64.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.7 mtm -77.84 -42.89 32.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.791 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.487 HD21 ' CG1' ' A' ' 26' ' ' ILE . 44.1 mt -67.02 -54.72 18.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -36.81 -38.67 0.32 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.15 -42.02 60.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' LEU . 31.6 mm-40 -55.87 -42.74 76.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.541 ' CH2' ' HG2' ' A' ' 54' ' ' LYS . 34.6 t-105 -58.81 -41.11 85.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -74.9 -19.1 60.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -97.38 -8.36 29.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.954 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.515 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.8 mt -51.87 168.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -82.27 158.35 66.78 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.516 0.674 . . . . 0.0 110.977 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 3.24 2.91 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.654 2.236 . . . . 0.0 112.348 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -115.03 -34.35 5.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -81.34 -51.59 8.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.541 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 17.3 tttt -52.66 -40.69 63.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.952 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -67.97 -48.14 66.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -52.17 -50.99 60.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -47.66 -43.6 26.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.6 mt -56.63 -56.2 24.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.936 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -55.69 -50.94 68.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -42.11 -53.65 3.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.19 -48.88 66.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.076 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -40.7 -53.02 2.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -38.75 -40.11 0.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -74.64 -56.73 4.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.017 0.437 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -40.92 -30.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -62.37 -68.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -57.11 -31.11 64.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.563 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.4 OUTLIER -63.44 -47.72 80.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.965 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.467 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 14.3 mt -43.28 -61.4 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.666 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 36.7 mtmm -50.49 -47.41 57.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 8' ' ' PRO . 23.0 mm-40 -53.04 -21.39 4.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.471 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 16.9 tp -82.09 -58.53 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.467 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 12.7 p-90 -90.45 -54.15 4.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 70' ' ' LYS . . . -41.76 -25.97 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.09 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -91.33 -45.05 8.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.959 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -57.68 -46.93 83.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -83.58 16.96 2.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.7 t -92.73 152.61 19.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -55.94 -44.9 78.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.84 -21.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.202 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -77.86 -46.46 21.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -66.78 -54.08 26.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.955 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.8 p -49.51 -30.46 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 61.7 m -93.83 152.05 19.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.0 t -62.86 164.89 7.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -150.76 161.46 42.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.1 m -39.24 -45.03 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -85.94 -161.72 35.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.463 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 136.94 34.06 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.26 . . . . 0.0 112.342 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.2 t -90.07 -53.22 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 t -47.25 -46.61 24.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.899 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.527 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -165.48 178.01 7.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 110.893 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -155.84 149.71 25.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.11 94.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 p -124.42 137.28 54.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.897 0.379 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 t -100.57 148.25 25.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.51 -158.3 0.27 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.446 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.557 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.7 Cg_endo -69.72 168.69 20.77 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.375 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' C ' ' CE2' ' A' ' 68' ' ' TYR . 3.5 tppt? -97.24 111.47 23.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.13 115.75 14.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.629 0.728 . . . . 0.0 111.097 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -163.78 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 2.28 . . . . 0.0 112.399 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 m -119.81 145.63 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.986 0.422 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -63.97 165.16 9.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.556 ' HA2' ' HB2' ' A' ' 61' ' ' ALA . . . -54.74 -33.5 55.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.444 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.492 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 7.0 t80 -64.02 -61.9 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.972 0.415 . . . . 0.0 110.903 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.72 HG12 ' OD1' ' A' ' 20' ' ' ASN . 38.9 t -60.25 -41.09 85.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.7 ttt-85 -44.9 -43.17 8.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -71.11 -30.5 66.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.985 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.492 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 82.1 mt -77.52 -17.04 58.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.72 ' OD1' HG12 ' A' ' 16' ' ' VAL . 35.2 m120 -79.91 -53.81 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -61.25 -47.91 83.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.543 ' HB2' HD13 ' A' ' 42' ' ' LEU . 2.7 mmp_? -62.07 -43.51 98.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.931 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' ARG . 1.2 tmt_? -37.32 -43.34 0.54 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -65.48 -48.22 73.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -52.78 -45.73 67.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.662 ' CG1' HD21 ' A' ' 42' ' ' LEU . 42.8 mm -62.91 -61.23 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' ILE . 15.6 mmm180 -35.04 -48.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.8 m -55.37 -43.59 75.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 26' ' ' ILE . 30.8 mtt85 -77.85 -56.23 4.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -108.01 75.45 0.54 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.647 0.737 . . . . 0.0 110.83 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.68 -2.17 9.65 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.69 2.26 . . . . 0.0 112.329 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -100.87 -23.34 14.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.594 HD22 ' HB3' ' A' ' 37' ' ' GLU . 8.3 mt -68.55 125.25 91.54 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.535 0.683 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.494 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.2 Cg_endo -69.75 -163.19 0.1 Allowed 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.594 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.34 -58.88 2.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.691 0.757 . . . . 0.0 110.897 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.8 Cg_endo -69.75 19.44 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.387 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.594 ' HB3' HD22 ' A' ' 33' ' ' LEU . 9.1 mm-40 -126.05 -25.45 3.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.598 HG23 HG21 ' A' ' 26' ' ' ILE . 94.4 mt -87.51 -43.13 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.224 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.0 m -62.42 -41.77 98.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 41' ' ' MET . 7.7 ptmm? -57.5 -33.89 68.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.451 ' HE1' HD12 ' A' ' 33' ' ' LEU . 39.1 mtm -72.26 -49.64 33.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.662 HD21 ' CG1' ' A' ' 26' ' ' ILE . 34.8 mt -64.88 -35.15 80.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.64 -42.9 45.65 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.53 -36.82 85.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.795 0.331 . . . . 0.0 111.162 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -62.2 -41.14 98.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.571 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.3 t-105 -49.83 -36.98 28.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -81.86 -23.71 36.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -95.19 9.77 38.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.571 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.6 mt -71.19 175.47 5.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -91.16 159.24 40.03 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.542 0.687 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 2.19 3.74 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.302 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.09 -35.42 5.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -81.12 -53.43 6.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.44 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 23.1 tttm -50.48 -43.8 55.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.704 ' OE1' HD12 ' A' ' 58' ' ' LEU . 3.0 tp-100 -65.31 -55.76 16.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -45.48 -45.92 13.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -52.97 -44.98 67.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.704 HD12 ' OE1' ' A' ' 55' ' ' GLN . 45.5 mt -56.51 -57.81 10.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 62' ' ' GLU . 38.6 t70 -57.8 -53.0 63.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.795 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -45.04 -39.73 5.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.556 ' HB2' ' HA2' ' A' ' 14' ' ' GLY . . . -74.64 -27.67 60.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 59' ' ' ASP . 80.4 mt-10 -72.78 -36.89 67.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -74.49 -34.51 63.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -76.15 -18.81 58.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.488 ' CG ' ' CD2' ' A' ' 69' ' ' LEU . 6.4 ttmt -75.88 -60.54 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.433 ' HA ' HD23 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -49.34 -31.12 8.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -65.35 -30.87 71.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.557 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -89.67 -33.97 16.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.83 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.569 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 1.4 mm? -49.25 -56.54 9.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.785 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 44.8 mtpt -58.95 -31.4 68.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -67.98 -3.39 9.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.482 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 57.5 tp -103.17 -50.73 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.569 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 7.7 p-90 -95.88 -52.94 3.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.785 ' HB3' ' O ' ' A' ' 70' ' ' LYS . . . -45.87 -22.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.099 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -92.24 -54.63 3.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.452 ' O ' ' CD2' ' A' ' 81' ' ' TYR . 69.0 mt-30 -51.24 -37.47 47.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -65.58 -41.31 93.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.6 p -38.23 129.06 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.807 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -43.48 -50.22 7.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.48 -45.08 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.452 ' CD2' ' O ' ' A' ' 76' ' ' GLN . 80.2 t80 -52.65 -50.18 63.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' VAL . 35.7 mtpt -74.78 -60.87 2.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 83' ' ' VAL . 13.2 p 34.75 35.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 82' ' ' LYS . 26.8 p -135.97 175.28 9.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 40.5 p -50.8 137.8 19.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -136.79 147.94 46.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.1 p -79.92 179.34 7.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.78 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.75 147.4 11.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -171.95 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.648 2.232 . . . . 0.0 112.359 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.8 t -107.91 151.18 26.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.8 m -64.03 162.72 13.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.559 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.7 m -87.99 138.1 31.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 110.903 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -44.09 -55.28 4.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.33 111.82 0.47 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 m -110.56 121.71 45.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 m -149.68 152.84 36.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.62 166.11 32.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.535 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.576 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.4 Cg_endo -69.72 145.96 58.98 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.7 2.267 . . . . 0.0 112.368 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.66 114.32 15.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.08 110.55 2.76 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.625 0.726 . . . . 0.0 111.106 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 143.5 50.92 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG2' ' HG3' ' A' ' 17' ' ' ARG . 8.1 m -61.52 152.74 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 t -85.31 153.23 22.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.58 -19.22 0.76 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.429 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 8.6 t80 -78.42 -34.4 48.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 0.0 110.921 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 19' ' ' LEU . 18.7 t -77.02 -51.76 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.472 ' HG3' ' CG2' ' A' ' 12' ' ' VAL . 2.1 mtt-85 -38.03 -36.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 27.2 t80 -75.71 -39.71 56.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 16' ' ' VAL . 85.6 mt -61.32 -39.65 91.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -64.06 -74.74 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -41.03 -48.43 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 24.3 mmt180 -62.73 -52.14 64.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 22' ' ' ARG . 2.6 tmm_? -36.43 -30.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 22' ' ' ARG . 11.6 tt0 -71.44 -47.72 54.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 22' ' ' ARG . 45.0 mm-40 -55.71 -40.45 72.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.713 HG21 HG23 ' A' ' 38' ' ' ILE . 36.7 mm -68.23 -58.8 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' ILE . 20.3 mmt180 -36.47 -42.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.83 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.3 m -59.69 -47.4 85.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' ILE . 21.5 mtt180 -75.73 -53.98 7.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -107.19 75.06 0.42 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.541 0.686 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 29' ' ' ARG . 53.8 Cg_endo -69.7 -2.38 10.04 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.749 2.299 . . . . 0.0 112.305 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -102.02 -31.67 10.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.611 HD22 ' HB3' ' A' ' 37' ' ' GLU . 9.1 mt -59.68 125.33 79.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.489 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.2 Cg_endo -69.75 -163.16 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.525 ' N ' ' HD2' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -72.29 -58.82 2.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.659 0.742 . . . . 0.0 110.87 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.4 Cg_endo -69.76 19.53 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.716 2.278 . . . . 0.0 112.343 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.611 ' HB3' HD22 ' A' ' 33' ' ' LEU . 20.3 mm-40 -126.09 -25.54 3.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.713 HG23 HG21 ' A' ' 26' ' ' ILE . 81.4 mt -87.87 -40.68 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.06 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.422 HG23 HD22 ' A' ' 19' ' ' LEU . 50.1 m -63.82 -45.3 90.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -51.24 -33.95 30.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 53.7 mtm -73.74 -47.54 38.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.445 HD13 ' HB2' ' A' ' 22' ' ' ARG . 47.2 mt -59.2 -41.43 88.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -44.41 -38.09 5.06 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.92 -37.05 85.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.722 0.296 . . . . 0.0 111.083 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -66.02 -38.44 88.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.684 ' CE3' HD12 ' A' ' 49' ' ' LEU . 69.5 t-105 -55.63 -33.13 63.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.8 t -81.1 -20.2 41.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -100.07 11.86 38.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.961 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.684 HD12 ' CE3' ' A' ' 46' ' ' TRP . 11.1 mt -72.92 156.2 39.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -75.16 159.6 82.15 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.561 0.696 . . . . 0.0 110.96 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 1.68 4.22 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.381 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.29 -39.54 4.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -75.04 -55.18 6.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.519 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 6.9 tttp -48.65 -41.8 32.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -70.31 -45.9 65.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -52.67 -42.53 64.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -59.09 -42.74 91.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 33.9 mt -59.53 -55.61 32.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -55.63 -48.36 75.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -45.46 -57.69 3.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.414 ' HB2' ' HD2' ' A' ' 17' ' ' ARG . . . -62.0 -41.84 98.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 65' ' ' LYS . 35.6 mt-10 -53.64 -52.85 58.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -46.81 -32.16 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -84.44 -24.03 29.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.824 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' GLU . 68.4 tttt -64.97 -42.31 94.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -47.42 -53.26 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -52.58 -65.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.576 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -44.84 -50.53 10.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.42 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 12.3 mt -46.62 -62.51 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.537 ' HA ' ' CE2' ' A' ' 73' ' ' TRP . 47.4 mttm -48.53 -59.22 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.485 ' O ' ' C ' ' A' ' 72' ' ' LEU . 13.3 mt-10 -40.93 -59.77 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.495 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 16.0 tp -31.53 -75.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.537 ' CE2' ' HA ' ' A' ' 70' ' ' LYS . 13.0 p-90 -73.65 -55.83 5.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -32.9 -35.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.501 ' N ' ' O ' ' A' ' 73' ' ' TRP . 2.0 t80 -86.01 -55.14 4.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -39.69 -32.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -102.26 48.57 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.9 t -137.33 151.02 48.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.32 -44.78 23.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.417 ' HA ' HG12 ' A' ' 83' ' ' VAL . . . -49.42 -38.28 28.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -65.83 -46.38 78.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -67.15 -57.49 6.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 84' ' ' CYS . 8.3 p -52.51 -40.4 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.155 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.434 ' N ' HG13 ' A' ' 83' ' ' VAL . 93.5 m -77.09 157.24 31.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.6 p -75.44 135.86 40.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -119.46 130.56 55.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.8 t -44.5 110.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.69 78.95 0.14 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.441 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 109.64 2.36 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.5 m -150.64 129.13 12.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.3 m -46.82 104.05 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.533 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 m -135.0 140.08 45.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -105.53 81.79 1.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.77 106.04 1.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -117.49 100.15 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 t -166.21 132.15 2.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.833 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.39 -171.87 52.61 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.445 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.478 ' HB3' ' CB ' ' A' ' 71' ' ' GLU . 53.1 Cg_endo -69.8 149.99 67.37 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.607 2.204 . . . . 0.0 112.329 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -76.83 95.56 4.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.491 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -47.54 105.93 0.54 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.596 0.712 . . . . 0.0 111.082 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 174.22 9.85 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.712 2.275 . . . . 0.0 112.322 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.8 m -105.72 159.55 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.174 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 14' ' ' GLY . 23.2 p -84.49 148.76 26.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.501 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -35.75 -40.9 0.36 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.442 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.578 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 21.6 t80 -60.95 -58.1 9.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.934 0.397 . . . . 0.0 110.932 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.817 ' HA ' HD12 ' A' ' 19' ' ' LEU . 85.8 t -63.3 -52.55 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 16' ' ' VAL . 30.6 ttt85 -37.09 -59.37 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.559 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -57.32 -39.46 75.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 16' ' ' VAL . 25.2 mt -62.47 -31.38 72.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -68.22 -60.39 2.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -51.87 -44.2 63.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.559 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 12.6 mmt180 -68.26 -45.89 71.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.411 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 2.0 tmm_? -37.51 -35.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -70.21 -48.48 56.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' ARG . 24.0 mm-40 -52.17 -41.28 62.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.576 HG21 HG23 ' A' ' 38' ' ' ILE . 33.4 mm -67.63 -60.96 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' ILE . 16.8 mmt180 -35.74 -48.88 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.4 m -55.13 -43.83 74.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 26' ' ' ILE . 79.2 mtt180 -76.88 -57.42 3.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -107.53 76.94 0.55 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 29' ' ' ARG . 54.3 Cg_endo -69.7 -2.32 9.93 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.745 2.296 . . . . 0.0 112.334 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -100.89 -21.01 15.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.569 HD22 ' HB3' ' A' ' 37' ' ' GLU . 7.8 mt -70.59 123.8 89.75 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.6 0.714 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.482 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.9 Cg_endo -69.74 -163.05 0.1 OUTLIER 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.58 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.61 -58.91 2.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 110.826 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.1 Cg_endo -69.76 19.37 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.687 2.258 . . . . 0.0 112.352 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.569 ' HB3' HD22 ' A' ' 33' ' ' LEU . 22.9 mm-40 -125.57 -25.48 3.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.576 HG23 HG21 ' A' ' 26' ' ' ILE . 87.1 mt -87.58 -43.77 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.6 m -61.64 -46.66 88.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 41' ' ' MET . 18.7 pttp -51.13 -35.4 35.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.467 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 45.0 mtm -71.9 -44.93 62.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 45' ' ' GLU . 86.5 mt -61.7 -50.03 74.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -35.55 -41.93 0.42 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.68 96.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.754 0.311 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 42' ' ' LEU . 16.4 mm-40 -61.75 -46.95 87.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.556 ' CE3' HD12 ' A' ' 49' ' ' LEU . 58.9 t-105 -51.05 -39.89 56.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.4 t -75.31 -25.06 57.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -95.99 6.91 47.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.556 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.6 mt -69.02 161.53 28.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -75.44 158.32 83.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.663 0.744 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 1.93 3.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.308 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.1 -39.45 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -76.01 -53.96 7.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 34.3 tttt -53.33 -47.73 69.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -62.23 -47.86 82.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -55.8 -45.41 78.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -52.2 -40.32 61.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.25 -45.15 94.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -69.88 -30.72 68.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -63.55 -31.53 72.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.501 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -88.2 -51.26 5.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.507 ' CG ' ' N ' ' A' ' 63' ' ' LYS . 7.7 pt-20 -46.52 -49.13 19.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.507 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 50.3 mtmt -58.24 -48.21 81.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -55.74 -47.04 77.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.587 ' HE3' HD21 ' A' ' 69' ' ' LEU . 16.6 tttp -60.07 -51.3 70.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -38.47 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 65' ' ' LYS . 4.9 tt0 -88.55 -53.65 4.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.59 ' HD1' HD22 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -43.67 -26.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.595 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 4.0 mm? -67.65 -54.01 23.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.765 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 35.7 mttp -66.47 -4.41 8.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.478 ' CB ' ' HB3' ' A' ' 8' ' ' PRO . 20.3 mt-10 -104.11 2.63 32.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.434 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 52.7 tp -100.95 -38.66 8.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 3.4 p-90 -102.29 -54.45 2.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' A' ' 70' ' ' LYS . . . -41.69 -23.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' TRP . 2.7 t80 -91.75 -49.65 6.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -50.35 -31.15 13.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -111.75 35.03 3.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.7 p -88.58 169.86 11.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -69.94 -24.83 63.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.21 -42.22 46.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -58.51 -44.8 89.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.94 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 83' ' ' VAL . 30.5 mttp -79.15 -60.67 2.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.933 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 83' ' ' VAL . 10.5 p 33.9 39.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.4 t -149.35 155.38 40.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.4 t -95.24 134.51 37.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.09 171.23 7.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 m -128.54 143.85 51.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 146.94 -101.31 0.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 164.7 33.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.629 2.219 . . . . 0.0 112.379 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.2 t -157.42 128.92 6.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.1 t -105.77 171.73 7.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.7 p -134.98 111.5 9.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.882 0.372 . . . . 0.0 110.847 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.3 m -92.0 156.17 17.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.1 77.79 0.87 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.532 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 p -117.6 -175.19 2.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 p -118.18 114.63 23.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.61 -157.07 27.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.529 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.567 ' HG2' ' CE2' ' A' ' 68' ' ' TYR . 54.2 Cg_endo -69.72 128.45 16.09 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.322 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.67 101.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.55 127.66 4.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.564 0.697 . . . . 0.0 111.15 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -176.03 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.312 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.575 HG21 ' HB3' ' A' ' 17' ' ' ARG . 22.5 m -109.16 169.59 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 16' ' ' VAL . 75.3 p -105.87 145.93 30.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.13 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -36.48 -33.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 13' ' ' THR . 24.7 t80 -72.22 -42.65 65.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.349 . . . . 0.0 110.892 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.712 ' HA ' HD12 ' A' ' 19' ' ' LEU . 59.9 t -68.44 -68.73 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.963 ' HD2' ' HB2' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -41.38 -27.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.435 ' CE2' ' HG3' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -78.53 -38.4 40.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' A' ' 16' ' ' VAL . 7.4 mt -54.39 -47.17 73.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -67.58 -59.38 3.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -39.48 -45.44 1.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.435 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 36.8 mmt180 -83.74 -33.06 25.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.407 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 5.2 tmm_? -41.54 -39.65 1.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -68.05 -42.05 81.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -55.71 -39.74 71.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.654 HG21 HG23 ' A' ' 38' ' ' ILE . 32.7 mm -68.76 -58.73 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' ILE . 17.6 mmm180 -36.92 -46.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.3 m -57.12 -41.99 80.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' ILE . 12.0 mtt-85 -80.08 -57.9 3.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.802 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -107.18 74.99 0.42 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.582 0.706 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 29' ' ' ARG . 54.5 Cg_endo -69.85 -1.94 9.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.662 2.241 . . . . 0.0 112.396 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -101.71 -25.53 13.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 37' ' ' GLU . 9.4 mt -64.86 126.24 90.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.487 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.5 Cg_endo -69.8 -163.23 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.316 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.592 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.19 -58.89 2.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 110.818 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.9 Cg_endo -69.76 19.48 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.577 ' HB3' HD22 ' A' ' 33' ' ' LEU . 17.5 mm-40 -126.03 -24.72 3.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.654 HG23 HG21 ' A' ' 26' ' ' ILE . 87.2 mt -88.76 -40.92 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.408 HG23 HD22 ' A' ' 19' ' ' LEU . 15.3 m -66.1 -46.34 77.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 41' ' ' MET . 10.2 pttm -51.15 -27.98 9.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.846 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.412 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 38.9 mtm -78.64 -48.15 15.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 45' ' ' GLU . 73.6 mt -56.92 -45.36 82.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.08 -47.48 2.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.34 -33.16 75.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' LEU . 6.5 mm-40 -63.68 -51.08 66.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.7 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.1 t-105 -47.18 -35.67 7.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.3 t -78.57 -25.53 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.97 0.414 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -96.95 10.51 38.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.7 HD12 ' CE3' ' A' ' 46' ' ' TRP . 11.4 mt -68.29 161.62 26.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -82.14 160.52 62.7 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 0.0 110.976 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.84 3.18 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.52 -38.55 4.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -75.94 -52.5 10.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.572 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 22.3 tttt -51.83 -47.8 64.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -59.89 -41.07 90.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.4 ttt85 -61.29 -50.88 71.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -52.37 -39.21 60.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.2 mt -65.91 -64.58 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.977 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -56.19 -22.97 32.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -65.62 -42.04 91.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.963 ' HB2' ' HD2' ' A' ' 17' ' ' ARG . . . -76.89 -41.72 42.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 65' ' ' LYS . 64.9 mt-10 -43.4 -53.85 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -42.74 -45.4 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -68.23 -31.01 70.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' GLU . 17.5 tttp -59.47 -51.18 70.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -44.78 -36.3 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -69.34 -67.93 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.567 ' CE2' ' HG2' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -41.4 -44.46 2.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.547 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 11.0 mt -49.25 -58.19 5.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.52 ' HA ' ' CE2' ' A' ' 73' ' ' TRP . 53.4 mttp -49.94 -68.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 72' ' ' LEU . 21.6 mm-40 -35.25 -59.14 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.492 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 29.2 tp -30.39 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.547 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 11.3 p-90 -74.57 -53.49 9.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -37.62 -28.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 77' ' ' GLN . 1.2 t80 -86.93 -61.12 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.576 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 68.6 mt-30 -38.74 -26.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 75' ' ' TYR . 21.4 mm-40 -75.75 -45.26 37.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.82 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 75' ' ' TYR . 4.0 p -36.12 146.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -41.04 89.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.89 -36.47 17.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.576 ' CD1' ' HA ' ' A' ' 76' ' ' GLN . 61.8 t80 -59.42 -48.74 80.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 83' ' ' VAL . 1.6 mtpm? -72.3 -62.81 1.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.975 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.562 ' O ' HG13 ' A' ' 83' ' ' VAL . 7.6 p 31.84 43.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 m -134.75 -178.01 4.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.99 126.28 48.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -164.4 137.7 5.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.6 p -100.18 129.19 46.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -72.5 -142.0 0.42 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 168.75 20.74 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.624 2.216 . . . . 0.0 112.393 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 96.4 p -111.68 171.68 7.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 m -103.12 130.26 50.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.463 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 t -110.31 102.34 11.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.85 0.357 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 m -71.34 -45.7 62.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.85 -150.13 12.98 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 p -93.45 159.36 15.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 t -123.39 -40.7 2.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.61 -159.97 15.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.483 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.563 ' HG2' ' CE2' ' A' ' 68' ' ' TYR . 53.2 Cg_endo -69.77 133.32 25.27 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.634 2.222 . . . . 0.0 112.371 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -60.53 98.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -37.99 134.24 0.86 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.558 0.694 . . . . 0.0 111.061 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.441 ' HD3' ' CG ' ' A' ' 68' ' ' TYR . 54.2 Cg_endo -69.7 -169.32 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 m -139.21 163.06 26.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.169 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.467 ' OG1' HG23 ' A' ' 16' ' ' VAL . 29.1 p -78.75 154.88 29.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.183 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.91 -14.67 5.69 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.645 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 22.7 t80 -92.34 -20.02 21.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.938 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 19' ' ' LEU . 54.2 t -87.3 -58.79 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.08 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.822 ' HD2' ' HB2' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -40.4 -34.29 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.963 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.517 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -78.76 -37.2 41.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.812 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.645 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 11.5 mt -58.95 -50.01 75.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -68.04 -56.46 8.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -47.99 -42.6 28.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.758 ' HB3' HD22 ' A' ' 42' ' ' LEU . 32.2 mmt180 -79.49 -31.46 42.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.535 ' HA ' HD11 ' A' ' 42' ' ' LEU . 3.3 tmm_? -53.65 -26.0 20.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -76.06 -46.05 31.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -54.28 -38.87 66.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.548 HG21 HG23 ' A' ' 38' ' ' ILE . 21.7 mm -69.07 -59.54 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 26' ' ' ILE . 19.6 mmt180 -36.04 -45.7 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 60.9 m -58.35 -42.27 86.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 26' ' ' ILE . 65.0 mtt180 -80.02 -57.16 3.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -108.06 74.86 0.51 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -1.27 8.19 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.365 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.97 -34.64 10.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.823 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 37' ' ' GLU . 12.6 mt -55.68 120.97 36.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.558 0.694 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.484 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.1 Cg_endo -69.8 163.16 39.34 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.707 2.271 . . . . 0.0 112.372 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.539 ' N ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -41.78 -57.93 3.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.656 0.741 . . . . 0.0 110.921 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.4 Cg_endo -69.74 19.5 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.589 2.193 . . . . 0.0 112.424 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.524 ' HB3' HD22 ' A' ' 33' ' ' LEU . 3.2 mm-40 -130.78 -26.84 2.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.548 HG23 HG21 ' A' ' 26' ' ' ILE . 96.7 mt -85.0 -36.31 11.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 m -68.46 -47.1 68.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -46.85 -27.91 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 27.8 mtm -81.15 -49.05 11.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.758 HD22 ' HB3' ' A' ' 22' ' ' ARG . 83.3 mt -55.43 -47.87 75.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -45.25 -49.08 10.54 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.546 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.405 ' HB1' ' HE2' ' A' ' 48' ' ' LYS . . . -57.32 -40.01 77.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 111.1 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -61.5 -42.13 98.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.664 ' CE3' HD12 ' A' ' 49' ' ' LEU . 66.8 t-105 -55.59 -36.4 66.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 t -76.87 -27.83 55.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HE2' ' HB1' ' A' ' 44' ' ' ALA . 27.2 mtmt -97.28 10.36 39.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.664 HD12 ' CE3' ' A' ' 46' ' ' TRP . 11.6 mt -66.62 169.12 8.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -85.36 159.55 55.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.546 0.688 . . . . 0.0 110.939 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -0.75 7.46 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.702 2.268 . . . . 0.0 112.32 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.53 -36.13 5.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -77.93 -52.55 8.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.502 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 20.5 tttt -52.35 -39.07 60.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.419 ' NE2' HD12 ' A' ' 58' ' ' LEU . 56.5 tp60 -73.27 -44.77 58.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.403 ' NH2' ' CE1' ' A' ' 57' ' ' TYR . 35.7 ttp85 -54.59 -33.4 60.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.403 ' CE1' ' NH2' ' A' ' 56' ' ' ARG . 16.0 m-85 -67.49 -40.18 85.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.419 HD12 ' NE2' ' A' ' 55' ' ' GLN . 38.9 mt -61.06 -57.43 12.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -57.8 -55.01 40.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -43.08 -49.69 6.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.822 ' HB2' ' HD2' ' A' ' 17' ' ' ARG . . . -62.21 -39.86 94.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -58.72 -54.08 51.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -43.39 66.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -57.63 -38.47 75.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -51.75 -50.19 61.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -45.34 -50.96 11.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -50.12 -62.91 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.563 ' CE2' ' HG2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -45.0 -55.37 5.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.598 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 14.4 mt -44.51 -57.3 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.527 ' HA ' ' CE2' ' A' ' 73' ' ' TRP . 9.4 mtpm? -48.4 -61.44 2.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.484 ' O ' ' C ' ' A' ' 72' ' ' LEU . 22.0 mm-40 -44.87 -57.48 3.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 71' ' ' GLU . 27.8 tp -31.41 -75.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.598 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 13.2 p-90 -72.59 -54.61 8.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -36.05 -31.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' TRP . 1.8 t80 -86.79 -57.07 3.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -41.35 -42.32 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -57.05 -40.1 76.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -45.06 125.2 5.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 82' ' ' LYS . 21.7 mm-40 -43.71 -56.53 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 79' ' ' GLU . . . -33.99 -35.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 79' ' ' GLU . 50.0 t80 -65.98 -48.6 70.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 79' ' ' GLU . 34.6 mttp -65.56 -57.96 6.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.454 ' CG1' ' HA ' ' A' ' 80' ' ' ALA . 9.7 p -47.7 -38.96 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 85.1 m -91.01 165.29 13.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 41.0 p 43.48 35.27 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -44.13 120.89 2.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 m -148.48 119.8 7.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 158.83 143.22 3.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.493 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 97.03 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.293 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.0 t -84.32 144.02 29.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.6 t -48.49 97.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.545 -179.927 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -128.99 178.29 6.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.836 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 p -168.3 131.26 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.43 134.28 8.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -138.46 149.21 45.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -62.18 155.41 24.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.76 -163.08 0.7 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.443 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.525 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.7 Cg_endo -69.76 159.31 53.87 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.243 . . . . 0.0 112.329 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -83.05 103.56 12.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.548 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -54.26 110.35 2.06 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.624 0.726 . . . . 0.0 111.108 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.55 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.77 161.02 47.56 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.3 m -64.82 157.7 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.071 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 14' ' ' GLY . 82.4 p -92.54 153.96 18.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -34.5 -40.65 0.19 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.443 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.684 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 17.1 t80 -63.11 -67.13 0.45 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.925 0.393 . . . . 0.0 110.89 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.482 ' HA ' HD12 ' A' ' 19' ' ' LEU . 75.0 t -54.03 -49.18 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.097 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' VAL . 22.1 ttm-85 -34.86 -59.61 0.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -58.75 -43.07 90.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.684 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 85.4 mt -57.31 -41.31 79.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -68.24 -55.87 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -50.54 -46.64 57.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 25' ' ' GLN . 7.7 mmm180 -73.06 -42.02 63.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 22' ' ' ARG . 2.3 tmm_? -34.18 -54.31 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -51.9 -46.08 64.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' ARG . 14.5 mm-40 -53.05 -44.61 67.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 29' ' ' ARG . 34.4 mm -62.5 -61.86 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 26' ' ' ILE . 37.5 mmm-85 -34.39 -48.52 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.9 m -55.73 -44.43 77.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.2 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 26' ' ' ILE . 25.5 mtp180 -78.02 -57.68 3.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -107.23 74.68 0.41 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 121.663 0.744 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 29' ' ' ARG . 53.0 Cg_endo -69.81 -1.76 9.06 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -100.19 -24.16 14.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.584 HD22 ' HB3' ' A' ' 37' ' ' GLU . 9.0 mt -67.67 124.66 89.85 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.493 ' CG ' ' HG3' ' A' ' 37' ' ' GLU . 54.0 Cg_endo -69.71 -163.12 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.373 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.527 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.36 -58.71 2.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 0.0 110.865 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.2 Cg_endo -69.9 19.66 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.689 2.259 . . . . 0.0 112.313 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.584 ' HB3' HD22 ' A' ' 33' ' ' LEU . 8.2 mm-40 -126.49 -27.08 3.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.479 HG23 HG21 ' A' ' 26' ' ' ILE . 96.3 mt -84.61 -42.39 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.6 m -63.85 -45.61 88.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 41' ' ' MET . 10.8 ptmt -53.99 -30.69 48.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.462 ' HE1' HD12 ' A' ' 33' ' ' LEU . 31.1 mtm -74.87 -44.98 46.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.36 -45.62 90.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.37 -52.57 5.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.493 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.48 -39.43 48.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -66.95 -45.75 76.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.835 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.454 ' CE3' HD12 ' A' ' 49' ' ' LEU . 71.6 t-105 -54.97 -33.49 62.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 t -81.93 -24.71 35.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -99.79 18.64 17.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.454 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.1 mt -78.11 167.08 21.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -84.36 160.05 57.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.548 0.69 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 2.25 3.67 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.726 2.284 . . . . 0.0 112.352 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.53 -38.53 4.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -76.31 -54.64 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -50.98 -45.15 60.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -65.24 -43.87 89.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -54.73 -48.3 72.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -54.35 -44.27 72.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.007 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.5 mt -58.56 -52.59 65.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -58.21 -49.18 77.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -48.28 -50.14 31.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.73 -32.43 70.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -61.78 -56.0 24.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -53.81 -60.69 2.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 65' ' ' LYS . 74.9 mm-40 -48.54 -49.64 35.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' GLU . 26.4 tttp -33.78 -60.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.523 ' HA ' HD13 ' A' ' 69' ' ' LEU . 10.1 mm100 -37.66 -56.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.508 ' C ' ' CD ' ' A' ' 67' ' ' GLN . 0.9 OUTLIER -39.5 -41.25 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.55 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 0.2 OUTLIER -79.41 -34.95 41.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.554 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 4.7 mp -53.25 -51.47 62.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.887 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 1.8 tttp -55.5 -34.98 65.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -72.28 -2.83 20.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.475 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 46.4 tp -99.98 -56.76 2.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.554 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 10.6 p-90 -89.93 -56.38 3.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.887 ' HB3' ' O ' ' A' ' 70' ' ' LYS . . . -42.0 -36.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -75.68 -42.79 50.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.972 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.5 ' HG2' ' CE2' ' A' ' 81' ' ' TYR . 32.9 mt-30 -65.9 -14.64 61.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -93.96 -4.25 50.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.0 t -85.43 135.86 33.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 82' ' ' LYS . 26.8 tt0 -49.1 -49.8 40.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.52 ' HA ' HG12 ' A' ' 83' ' ' VAL . . . -37.83 -36.57 0.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.043 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.5 ' CE2' ' HG2' ' A' ' 76' ' ' GLN . 5.8 t80 -62.45 -45.19 94.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 79' ' ' GLU . 46.7 mtpt -70.91 -59.81 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.961 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.63 ' O ' HG13 ' A' ' 83' ' ' VAL . 9.3 p -49.76 114.54 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.6 m -156.59 170.25 22.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 42.0 p -99.04 112.69 24.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -105.69 104.55 14.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 79.9 p -155.25 166.59 33.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.79 83.31 0.32 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 90' ' ' SER . 53.9 Cg_endo -69.77 -33.11 17.2 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.637 2.224 . . . . 0.0 112.321 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 89' ' ' PRO . 58.6 p -37.56 125.31 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -75.08 122.03 22.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t -150.33 114.18 5.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -41.9 -58.48 2.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.75 87.24 0.61 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -150.16 119.89 7.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.905 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 m -60.94 166.73 3.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.08 -157.38 4.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.563 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 54.1 Cg_endo -69.76 130.21 18.95 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.653 2.235 . . . . 0.0 112.404 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -65.67 109.85 2.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.04 115.13 8.3 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.588 0.708 . . . . 0.0 111.08 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 142.25 47.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.645 2.23 . . . . 0.0 112.313 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.0 m -57.79 130.76 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.1 t -72.73 159.72 33.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -42.6 -37.14 2.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.614 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 17.0 t80 -61.34 -63.0 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.939 0.399 . . . . 0.0 110.932 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 19' ' ' LEU . 72.9 t -60.97 -51.93 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.102 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' VAL . 18.7 ttt180 -38.02 -45.28 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -70.89 -36.09 72.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.614 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 77.9 mt -69.35 -29.5 67.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.983 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -73.89 -39.73 63.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -72.39 -50.95 22.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.615 ' HB2' HD13 ' A' ' 42' ' ' LEU . 25.5 mmt-85 -62.0 -45.56 93.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.776 ' HD2' HG21 ' A' ' 38' ' ' ILE . 3.2 tpt180 -39.76 -30.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -76.78 -40.25 48.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 22' ' ' ARG . 6.1 mm100 -57.6 -37.75 73.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' ARG . 28.3 mm -70.05 -60.64 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.59 ' HG2' HD13 ' A' ' 38' ' ' ILE . 12.2 mmt180 -34.39 -43.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.9 m -57.9 -48.63 79.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' ILE . 5.5 mtt-85 -76.35 -52.89 9.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.765 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -107.51 76.48 0.53 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 29' ' ' ARG . 53.8 Cg_endo -69.73 -1.38 8.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -100.58 -22.6 14.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.567 HD22 ' HB3' ' A' ' 37' ' ' GLU . 8.7 mt -69.36 124.97 91.6 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.673 0.749 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.503 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.0 Cg_endo -69.74 -163.08 0.1 OUTLIER 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.687 2.258 . . . . 0.0 112.387 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.622 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.75 -58.7 2.64 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.61 0.719 . . . . 0.0 110.869 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.4 Cg_endo -69.85 19.33 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.567 ' HB3' HD22 ' A' ' 33' ' ' LEU . 25.3 mm-40 -125.68 -23.66 3.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.776 HG21 ' HD2' ' A' ' 23' ' ' ARG . 90.6 mt -90.89 -45.99 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.201 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.3 m -62.69 -41.21 98.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.196 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 41' ' ' MET . 12.9 ptmm? -55.38 -41.57 72.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.43 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 29.8 mtm -65.92 -42.24 90.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.615 HD13 ' HB2' ' A' ' 22' ' ' ARG . 30.5 mt -62.02 -38.68 89.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.34 -40.62 30.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.43 -31.52 72.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.298 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -70.75 -43.6 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.736 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.5 t-105 -46.84 -41.94 16.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.8 t -73.93 -24.34 59.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -89.15 -12.44 41.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.948 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.736 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.0 mt -49.32 162.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -79.3 159.32 72.84 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.593 0.711 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.04 3.88 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.361 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.82 -35.34 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -78.49 -50.46 11.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.513 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 23.6 tttt -54.35 -38.55 66.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -71.48 -47.85 52.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -53.62 -47.81 69.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -48.5 -42.29 32.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.6 mt -59.17 -58.5 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -53.23 -47.45 68.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -45.57 -50.5 13.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.53 -44.55 86.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -47.02 -58.66 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -39.95 -55.24 2.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.59 -44.28 96.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.1 tttp -40.36 -43.23 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -50.96 -48.44 60.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -53.16 -38.3 62.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.563 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -73.53 -41.54 62.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.824 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.2 mt -54.15 -68.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.521 ' HA ' ' CE2' ' A' ' 73' ' ' TRP . 22.8 pttt -39.01 -54.17 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.487 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 6.8 mm-40 -51.46 -54.05 30.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.479 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 4.9 tp -31.94 -65.18 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.521 ' CE2' ' HA ' ' A' ' 70' ' ' LYS . 7.8 p-90 -83.77 -55.77 4.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -33.51 -36.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 73' ' ' TRP . 3.6 t80 -84.64 -48.11 9.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.966 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 73' ' ' TRP . 30.8 mt-30 -38.98 -39.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -97.74 69.98 2.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.969 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.9 t -146.83 144.24 29.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -44.45 -42.94 7.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.92 -49.21 66.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -45.32 -39.08 6.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 83' ' ' VAL . 0.3 OUTLIER -83.84 -64.22 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' ' 83' ' ' VAL . 7.8 p 32.56 40.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.1 m -140.86 173.3 11.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.725 ' O ' HG23 ' A' ' 85' ' ' THR . 9.2 t -108.97 86.52 2.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -118.92 166.76 12.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.3 t -114.82 156.67 24.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 177.26 -73.54 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.534 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 152.34 69.46 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.712 2.274 . . . . 0.0 112.406 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.1 m -145.86 162.59 37.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.4 p -52.34 128.56 25.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.782 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.477 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 p -119.11 135.35 54.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.93 0.395 . . . . 0.0 110.846 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -75.24 176.53 7.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.34 157.56 15.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.43 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 p -106.02 -49.32 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.393 . . . . 0.0 110.924 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 t -67.29 135.37 53.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.841 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.06 155.81 32.29 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.446 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.452 ' HG3' ' CA ' ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.83 142.21 47.02 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.587 2.191 . . . . 0.0 112.358 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -81.85 113.09 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.488 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -53.36 120.73 22.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.537 0.684 . . . . 0.0 111.169 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -167.87 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.243 . . . . 0.0 112.38 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.3 m -113.5 155.78 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' GLY . 69.2 p -91.77 149.52 21.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -37.5 -37.36 0.33 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.433 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.505 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 23.6 t80 -66.1 -50.66 63.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.935 0.398 . . . . 0.0 110.989 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' ARG . 16.4 t -69.85 -57.8 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.162 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' VAL . 30.6 ttt-85 -36.01 -48.36 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.805 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.53 -42.69 74.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.818 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.505 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 19.3 mt -54.82 -42.95 72.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -64.11 -60.9 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -40.31 -50.71 2.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.58 ' HB3' HD22 ' A' ' 42' ' ' LEU . 18.7 mmm180 -71.01 -45.83 63.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.564 ' HA ' HD11 ' A' ' 42' ' ' LEU . 2.7 tmm_? -37.03 -47.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -57.95 -48.97 78.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -51.95 -40.18 60.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.428 HG21 HG23 ' A' ' 38' ' ' ILE . 40.7 mm -68.41 -54.8 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.216 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -42.78 -37.64 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.808 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.8 m -66.62 -45.29 79.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -71.79 -55.27 7.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -117.86 81.35 15.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.599 0.714 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 -1.08 7.87 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.743 2.295 . . . . 0.0 112.282 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -99.34 -31.31 11.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.469 HD22 ' HB3' ' A' ' 37' ' ' GLU . 10.9 mt -53.15 118.48 14.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.661 0.743 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.494 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.7 Cg_endo -69.76 163.32 38.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.74 2.294 . . . . 0.0 112.306 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.528 ' N ' ' HD2' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -41.82 -58.03 3.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.636 0.731 . . . . 0.0 110.876 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.3 Cg_endo -69.73 19.48 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.382 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.494 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 11.0 mm-40 -130.8 -26.2 2.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.428 HG23 HG21 ' A' ' 26' ' ' ILE . 96.4 mt -84.87 -32.91 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.7 m -72.69 -45.58 58.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -49.9 -27.51 5.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 28.2 mtm -82.63 -43.95 16.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.58 HD22 ' HB3' ' A' ' 22' ' ' ARG . 87.4 mt -63.39 -45.96 88.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.68 -50.05 7.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.505 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.89 -39.34 58.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 111.049 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.33 -44.0 96.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.599 ' CE3' HD12 ' A' ' 49' ' ' LEU . 70.7 t-105 -56.06 -35.32 66.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.3 t -77.74 -32.08 52.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.817 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -94.17 20.9 7.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.599 HD12 ' CE3' ' A' ' 46' ' ' TRP . 10.7 mt -80.12 152.97 29.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.938 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -68.41 154.8 93.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.621 0.724 . . . . 0.0 110.952 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 4.04 2.41 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.22 -33.8 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -81.14 -54.06 5.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.494 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 6.8 tttp -48.55 -29.03 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -84.85 -47.59 10.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 56' ' ' ARG . 0.9 OUTLIER -54.97 -32.04 61.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -65.96 -46.72 77.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.1 mt -54.81 -49.4 71.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 62' ' ' GLU . 40.3 t0 -59.17 -59.4 5.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 59' ' ' ASP . 6.1 mm-40 -35.9 -47.82 0.54 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.98 -44.0 90.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' ASP . 27.0 mt-10 -51.47 -57.17 9.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -39.26 -50.74 1.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.09 -47.49 85.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -43.38 -52.15 6.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -54.65 -32.67 59.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -75.89 -46.57 29.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.488 ' CE2' ' HA ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -66.67 -20.91 66.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.596 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 13.2 mt -71.3 -54.98 8.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.885 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 15.3 ptmt -60.79 -23.55 65.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 8' ' ' PRO . 22.4 mm-40 -82.39 0.85 40.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.452 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 20.6 tp -101.66 -43.61 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 5.0 p-90 -101.02 -56.92 2.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.885 ' HB3' ' O ' ' A' ' 70' ' ' LYS . . . -43.12 -23.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.082 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.413 ' N ' ' C ' ' A' ' 73' ' ' TRP . 2.9 t80 -91.85 -49.62 6.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.474 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 52.6 mt-30 -54.63 -52.64 61.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -88.67 69.1 8.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.8 p -145.6 155.54 43.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -50.09 -38.63 39.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.562 ' HA ' HG12 ' A' ' 83' ' ' VAL . . . -60.11 -40.47 89.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.474 ' CG ' ' O ' ' A' ' 76' ' ' GLN . 55.6 t80 -60.24 -43.97 95.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -73.39 -59.11 2.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.588 ' O ' HG13 ' A' ' 83' ' ' VAL . 8.3 p -52.48 118.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 3.8 t -168.33 170.83 9.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.9 t -90.63 129.31 36.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.156 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -173.62 167.74 4.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -53.31 127.08 23.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.57 146.63 37.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.488 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -167.54 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.631 2.221 . . . . 0.0 112.389 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.2 t -66.33 -41.23 89.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 55.9 m -90.64 -65.17 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.556 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -166.51 131.54 2.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.88 0.371 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -60.7 -53.83 52.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.9 132.64 11.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.1 p -109.35 92.06 3.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.901 0.381 . . . . 0.0 110.79 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -110.29 107.66 17.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.07 -174.86 3.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.477 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.509 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.8 Cg_endo -69.81 156.82 62.25 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.703 2.269 . . . . 0.0 112.326 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.3 tptp -95.83 111.76 23.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.491 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -50.34 112.64 2.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.631 0.729 . . . . 0.0 111.056 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.507 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 54.0 Cg_endo -69.8 135.1 29.51 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.5 m -46.49 149.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 14' ' ' GLY . 58.6 p -88.76 146.92 24.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.077 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.449 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -35.4 -34.88 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.497 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 23.8 t80 -71.0 -48.28 54.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.982 0.42 . . . . 0.0 110.964 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.65 HG12 ' ND2' ' A' ' 20' ' ' ASN . 87.3 t -68.67 -51.63 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.149 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.9 ttt85 -40.3 -52.28 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.439 ' CE2' ' HG3' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -61.39 -36.36 80.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.497 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 84.6 mt -67.1 -42.97 83.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.65 ' ND2' HG12 ' A' ' 16' ' ' VAL . 22.8 m-80 -64.47 -53.05 54.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -55.87 -51.04 68.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.439 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 4.5 mmp_? -64.28 -44.36 91.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' ARG . 5.9 tmm_? -35.78 -54.21 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -45.76 -54.13 8.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.426 ' HG3' ' NH2' ' A' ' 22' ' ' ARG . 29.1 mm100 -47.28 -42.26 20.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.677 HG21 HG23 ' A' ' 38' ' ' ILE . 38.1 mm -67.01 -54.75 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -42.33 -35.9 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.811 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 98.5 m -67.51 -36.99 82.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' ILE . 10.8 mtp85 -80.99 -55.53 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.852 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -120.48 80.5 30.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.512 0.672 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -0.58 7.13 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.262 . . . . 0.0 112.352 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -101.16 -15.94 17.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 33' ' ' LEU . 8.7 mt -69.67 119.04 68.5 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.584 0.707 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.494 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.6 Cg_endo -69.74 163.98 36.23 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.638 2.225 . . . . 0.0 112.376 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.612 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -42.19 -58.08 3.8 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.846 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.1 Cg_endo -69.68 19.28 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.494 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 3.5 mm-40 -130.71 -22.1 2.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.677 HG23 HG21 ' A' ' 26' ' ' ILE . 87.9 mt -92.27 -37.41 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.17 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 m -68.8 -43.72 75.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.2 pttp -53.07 -29.69 31.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 40.7 mtm -78.08 -45.92 22.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.428 HD21 ' CG1' ' A' ' 26' ' ' ILE . 39.3 mt -63.84 -46.58 84.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.7 -48.07 6.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.513 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.46 -33.41 63.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.694 0.283 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -72.27 -40.36 67.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.632 ' CE3' HD12 ' A' ' 49' ' ' LEU . 57.9 t-105 -53.79 -37.61 63.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.9 t -75.23 -27.28 59.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -97.29 12.0 34.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.632 HD12 ' CE3' ' A' ' 46' ' ' TRP . 10.9 mt -70.86 153.79 42.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -67.95 154.67 93.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.658 0.742 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 3.31 2.81 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.699 2.266 . . . . 0.0 112.383 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.98 -33.72 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -80.11 -53.72 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.575 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 14.7 tttt -50.98 -40.76 58.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.485 ' NE2' HD12 ' A' ' 58' ' ' LEU . 41.9 tp60 -70.91 -42.24 70.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -60.96 -33.85 73.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -64.83 -44.12 90.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.485 HD12 ' NE2' ' A' ' 55' ' ' GLN . 38.9 mt -56.3 -50.9 70.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -60.66 -51.67 68.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -41.38 -46.18 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.449 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -75.69 -41.75 52.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -52.97 -55.26 24.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -40.46 -43.22 1.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -75.52 -41.11 56.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -48.57 -45.07 37.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -61.26 -36.26 79.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -72.27 -47.44 50.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.509 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -61.1 -40.94 95.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.554 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 17.1 mt -51.26 -60.02 3.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.966 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.838 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 19.3 pttt -56.13 -27.83 55.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -79.1 7.14 7.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.478 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 44.0 tp -111.59 -45.69 3.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.554 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 4.9 p-90 -99.49 -50.7 4.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.989 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.838 ' HB3' ' O ' ' A' ' 70' ' ' LYS . . . -49.56 -18.81 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -100.29 -28.51 12.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -73.6 -16.96 61.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -112.22 36.34 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 59.2 p -104.33 149.0 25.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -56.82 -29.09 62.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.89 82.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -48.55 -42.85 34.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -83.88 -68.13 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.702 HG22 ' O ' ' A' ' 83' ' ' VAL . 10.0 p 40.51 38.26 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.9 t -107.28 131.91 53.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 53.7 p -114.43 -47.92 2.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -60.12 105.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.8 m 61.76 42.81 10.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.806 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -147.2 152.7 24.81 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 101.52 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.753 2.302 . . . . 0.0 112.325 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 82.7 p -95.3 172.13 8.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.6 p -92.11 134.85 34.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.6 p -88.7 116.24 26.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 p -93.91 -54.27 3.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.856 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.24 91.14 0.76 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 t -47.94 102.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.793 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -170.9 113.04 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.8 -165.07 52.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.573 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.564 ' HB2' ' CD1' ' A' ' 68' ' ' TYR . 53.1 Cg_endo -69.83 145.86 58.0 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -87.19 112.35 21.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.479 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . . . -47.4 110.79 1.42 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.622 0.725 . . . . 0.0 111.103 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.598 ' HD3' ' CD1' ' A' ' 68' ' ' TYR . 53.4 Cg_endo -69.81 169.03 19.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.735 2.29 . . . . 0.0 112.299 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.1 m -93.1 131.49 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.1 t -74.87 159.0 32.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -38.87 -36.04 0.43 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.54 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -63.7 -61.79 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.41 . . . . 0.0 110.897 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 19' ' ' LEU . 94.3 t -62.29 -54.43 34.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' VAL . 13.1 ttt-85 -34.96 -55.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.545 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -64.18 -37.46 87.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.809 -179.874 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' VAL . 10.2 mt -62.26 -37.4 85.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -67.51 -57.34 6.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -51.94 -51.09 59.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.635 ' HB3' HD22 ' A' ' 42' ' ' LEU . 20.2 mmt180 -64.57 -48.36 75.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.603 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -36.31 -57.68 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -49.15 -48.25 45.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -52.97 -36.38 60.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.617 HG21 HG23 ' A' ' 38' ' ' ILE . 44.2 mm -71.09 -53.7 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.2 mmm-85 -42.12 -39.73 2.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.7 m -63.52 -44.36 94.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.169 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -72.51 -54.51 9.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -120.71 81.47 33.19 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.644 0.735 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -0.63 7.26 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -100.05 -26.71 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.448 HD22 ' HB3' ' A' ' 37' ' ' GLU . 8.9 mt -58.5 118.42 28.01 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.577 0.703 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.498 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.3 Cg_endo -69.72 163.99 36.17 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -42.2 -58.1 3.78 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.683 0.754 . . . . 0.0 110.91 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.3 Cg_endo -69.74 19.48 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.703 2.269 . . . . 0.0 112.343 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.498 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 5.5 mm-40 -130.98 -23.74 2.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.617 HG23 HG21 ' A' ' 26' ' ' ILE . 94.7 mt -89.98 -34.15 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.0 m -72.7 -42.77 63.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -54.28 -28.61 43.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.873 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.2 mtm -79.19 -47.77 15.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.635 HD22 ' HB3' ' A' ' 22' ' ' ARG . 88.2 mt -59.88 -49.23 78.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.57 -59.32 1.97 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.527 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.91 -43.24 18.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.712 0.292 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -60.31 -40.46 90.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.595 ' CE3' HD12 ' A' ' 49' ' ' LEU . 52.8 t-105 -59.04 -45.7 90.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.3 m -70.81 -20.87 62.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -99.57 10.13 41.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.595 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.0 mt -68.26 168.58 12.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -87.06 159.86 50.41 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 2.6 3.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.769 2.312 . . . . 0.0 112.362 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.89 -38.02 4.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -76.26 -53.54 8.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.537 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 21.5 tttt -50.67 -42.15 56.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -67.86 -40.58 83.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 17.5 ttm-85 -59.21 -28.42 66.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -81.52 -42.4 20.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.2 mt -63.65 -30.4 71.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -88.28 -33.17 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 16.5 mm-40 -65.32 -19.72 66.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.96 -42.84 6.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -54.31 -28.79 44.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -75.22 -30.88 60.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -81.6 -25.56 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -71.35 -33.57 69.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -61.17 -39.88 91.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -74.5 -38.44 62.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.598 ' CD1' ' HD3' ' A' ' 11' ' ' PRO . 1.9 t80 -62.06 -41.46 98.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.546 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 30.5 mt -55.5 -55.59 30.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.715 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 38.1 mtpt -53.39 -41.81 66.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.431 ' CB ' ' HB3' ' A' ' 8' ' ' PRO . 56.5 mm-40 -60.2 -13.32 11.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.455 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 21.5 tp -90.76 -53.38 4.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.546 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 8.9 p-90 -94.83 -51.31 4.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 70' ' ' LYS . . . -48.43 -19.46 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -97.37 -38.54 9.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -66.4 -5.16 9.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -127.81 53.5 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.978 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.1 m -122.09 152.68 39.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -50.4 -27.94 7.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.815 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.78 -49.78 19.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -43.23 -36.0 1.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 83' ' ' VAL . 90.2 mttt -88.23 -61.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 83' ' ' VAL . 8.6 p 32.04 38.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 82' ' ' LYS . 1.9 m -141.47 142.22 33.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.5 p -114.06 155.42 25.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -140.38 135.87 32.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.9 p -43.3 125.85 3.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -126.35 -166.34 12.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.521 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -15.84 37.18 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.0 t -43.11 130.2 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.81 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.2 m -83.04 143.37 30.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.505 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.407 -0.277 . . . . 0.0 112.407 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -84.56 96.13 9.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 110.824 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.6 p -88.2 158.95 18.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.26 -120.08 8.25 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 m 52.98 47.22 25.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.894 0.378 . . . . 0.0 110.914 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -113.67 116.74 29.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.42 -152.46 7.01 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.56 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.495 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.2 Cg_endo -69.86 147.59 62.57 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.662 2.242 . . . . 0.0 112.252 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -89.58 109.88 20.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . . . -45.7 113.36 1.97 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.589 0.709 . . . . 0.0 111.1 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.496 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 54.4 Cg_endo -69.78 163.07 39.65 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.723 2.282 . . . . 0.0 112.325 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.6 m -79.13 153.65 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.6 p -93.08 158.8 15.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.401 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -37.86 -40.14 0.73 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.691 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 17.9 t80 -66.59 -58.73 4.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.855 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.625 ' HA ' HD12 ' A' ' 19' ' ' LEU . 84.0 t -59.24 -57.98 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' VAL . 18.0 ttt85 -36.02 -55.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.533 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -58.72 -38.81 79.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.691 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 15.4 mt -66.51 -28.37 68.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -81.03 -40.62 23.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -69.06 -48.5 62.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.741 ' HB3' HD22 ' A' ' 42' ' ' LEU . 25.4 mmt180 -63.38 -46.54 86.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.597 ' HA ' HD11 ' A' ' 42' ' ' LEU . 19.9 ttp85 -35.98 -57.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' ARG . 7.0 tt0 -36.42 -52.99 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -50.56 -41.53 54.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.627 HG21 HG23 ' A' ' 38' ' ' ILE . 40.8 mm -67.09 -60.51 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' ILE . 11.8 mmm180 -35.04 -42.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 m -61.16 -50.92 71.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -68.87 -52.87 25.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -119.08 79.7 18.33 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.655 0.741 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.88 -0.84 7.6 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.309 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -99.75 -32.87 10.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 37' ' ' GLU . 8.9 mt -53.43 119.08 16.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.586 0.708 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.502 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 53.4 Cg_endo -69.79 163.61 37.65 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.538 ' N ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -41.95 -58.03 3.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.639 0.733 . . . . 0.0 110.882 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.0 Cg_endo -69.73 19.34 0.18 Allowed 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.774 2.316 . . . . 0.0 112.33 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.502 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 2.9 mm-40 -130.94 -18.71 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.627 HG23 HG21 ' A' ' 26' ' ' ILE . 93.8 mt -95.91 -33.23 4.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.5 m -72.67 -40.62 66.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 41' ' ' MET . 0.0 OUTLIER -54.85 -31.19 59.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.433 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 40.6 mtm -78.73 -53.29 7.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.741 HD22 ' HB3' ' A' ' 22' ' ' ARG . 66.4 mt -51.64 -47.17 63.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -35.66 -55.84 1.03 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.07 -44.03 15.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -59.62 -43.83 93.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.477 ' CE3' HD12 ' A' ' 49' ' ' LEU . 65.4 t-105 -55.25 -40.6 71.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.5 t -77.47 -26.18 51.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -94.38 11.16 31.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.477 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.7 mt -70.92 178.72 3.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -93.78 160.58 32.35 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 1.72 4.15 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.378 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -114.5 -39.57 3.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -73.34 -53.88 9.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.427 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 24.2 tttt -51.5 -42.21 61.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.424 ' NE2' HD12 ' A' ' 58' ' ' LEU . 50.4 tp60 -69.45 -51.32 37.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.3 ttm-85 -49.8 -47.04 51.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -50.65 -44.75 57.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.424 HD12 ' NE2' ' A' ' 55' ' ' GLN . 33.3 mt -56.44 -55.14 37.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -57.71 -51.57 69.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -47.07 -48.6 22.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.401 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -63.3 -54.54 35.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 63' ' ' LYS . 13.4 mm-40 -40.04 -52.26 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 62' ' ' GLU . 38.0 mtmt -36.24 -49.08 0.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -58.77 -49.72 76.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -42.84 -33.1 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -67.54 -66.43 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -53.9 -34.31 59.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.496 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 0.6 OUTLIER -71.98 -38.65 69.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.483 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 4.8 mt -53.78 -61.26 2.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.78 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 4.7 pttm -56.37 -32.73 65.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 30.8 mt-10 -67.01 -6.95 19.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.468 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 28.1 tp -97.37 -48.64 5.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.508 ' CE2' ' HA ' ' A' ' 70' ' ' LYS . 5.8 p-90 -98.27 -54.56 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.974 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.78 ' HB3' ' O ' ' A' ' 70' ' ' LYS . . . -43.25 -25.44 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.055 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -88.37 -50.28 6.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.908 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.407 ' HG2' ' CZ ' ' A' ' 81' ' ' TYR . 56.5 mt-30 -48.95 -35.93 16.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -52.18 -44.52 64.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.4 t -39.26 141.2 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 12.6 pt-20 -59.5 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.589 ' HA ' HG12 ' A' ' 83' ' ' VAL . . . -42.73 -38.06 1.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.083 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.407 ' CZ ' ' HG2' ' A' ' 76' ' ' GLN . 50.3 t80 -55.74 -49.32 73.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -72.82 -64.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.589 HG12 ' HA ' ' A' ' 80' ' ' ALA . 9.4 p -48.42 130.42 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.085 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 25.7 p -170.45 -178.96 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.566 HG23 ' HG3' ' A' ' 86' ' ' GLU . 12.2 t -43.61 145.75 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.566 ' HG3' HG23 ' A' ' 85' ' ' THR . 1.4 pp20? 33.0 51.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 86' ' ' GLU . 50.9 m -35.01 149.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -83.19 141.84 20.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.455 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 97.72 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.665 2.244 . . . . 0.0 112.33 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.3 m -128.9 136.7 50.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.0 p -171.51 164.04 6.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.528 -179.955 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.2 p -168.48 129.86 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.861 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.7 m -72.26 153.93 41.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.817 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.02 -41.3 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.55 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -62.17 160.59 12.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.95 0.405 . . . . 0.0 110.829 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -88.29 -35.29 17.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.787 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.52 -171.78 27.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.562 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 52.7 Cg_endo -69.75 130.48 19.43 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.709 2.272 . . . . 0.0 112.309 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -61.99 102.79 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.23 110.37 1.64 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.563 0.697 . . . . 0.0 111.091 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 132.96 24.38 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.314 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.879 HG23 ' HG3' ' A' ' 17' ' ' ARG . 27.8 m -54.84 147.67 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.5 p -76.45 169.33 18.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.74 -36.29 85.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -62.24 -36.85 83.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.017 0.437 . . . . 0.0 110.952 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.668 HG12 ' ND2' ' A' ' 20' ' ' ASN . 67.9 t -81.89 -48.72 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.166 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.879 ' HG3' HG23 ' A' ' 12' ' ' VAL . 44.0 mtt-85 -41.34 -31.66 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.6 OUTLIER -83.62 -36.21 24.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 16' ' ' VAL . 91.4 mt -69.95 -30.17 67.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.668 ' ND2' HG12 ' A' ' 16' ' ' VAL . 18.4 m-20 -70.3 -60.63 2.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.9 -47.14 77.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.643 ' HB3' HD22 ' A' ' 42' ' ' LEU . 33.0 mmt180 -63.79 -47.74 79.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.922 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.511 ' HA ' HD11 ' A' ' 42' ' ' LEU . 1.5 tpt180 -45.04 -24.28 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -82.28 -51.26 8.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -47.42 -36.89 10.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 29' ' ' ARG . 14.0 mm -70.47 -57.86 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' ILE . 9.2 mmt85 -37.24 -39.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.5 m -65.0 -44.26 89.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' ILE . 50.4 mtt180 -77.81 -54.72 6.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -108.3 80.31 1.1 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.65 0.738 . . . . 0.0 110.834 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -1.79 9.04 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.91 -19.05 16.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 37' ' ' GLU . 7.8 mt -73.21 120.58 81.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.638 0.732 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.5 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.1 Cg_endo -69.74 -162.86 0.1 OUTLIER 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.617 2.212 . . . . 0.0 112.334 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.629 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -73.68 -58.64 2.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.846 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.4 Cg_endo -69.75 19.6 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.319 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.528 ' HB3' HD22 ' A' ' 33' ' ' LEU . 19.9 mm-40 -124.64 -22.5 4.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.7 mt -93.02 -50.35 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.059 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 m -56.62 -28.2 59.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 41' ' ' MET . 0.0 OUTLIER -70.86 -36.77 72.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.466 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 33.7 mtm -70.03 -52.2 26.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' A' ' 22' ' ' ARG . 23.3 mt -53.48 -42.32 67.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.94 -56.17 3.22 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.456 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.69 -40.25 59.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.773 0.32 . . . . 0.0 111.092 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -61.96 -48.18 81.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.753 ' CE3' HD12 ' A' ' 49' ' ' LEU . 57.8 t-105 -48.42 -39.77 23.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.2 t -75.99 -21.73 56.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -94.66 -3.3 49.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.753 HD12 ' CE3' ' A' ' 46' ' ' TRP . 11.5 mt -57.78 158.51 6.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -74.8 157.29 85.92 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.572 0.701 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 1.29 4.52 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.7 2.266 . . . . 0.0 112.415 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.27 -31.99 6.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -84.19 -52.83 5.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.477 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 24.1 tttm -50.12 -41.27 48.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -67.21 -45.28 77.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.5 ttt-85 -52.43 -46.3 66.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -54.92 -33.8 62.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.1 mt -67.01 -56.03 11.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -59.53 -54.94 40.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -40.15 -52.82 2.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.28 -39.88 80.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.22 -58.79 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -41.48 -34.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -79.09 -45.29 20.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -46.55 -33.72 4.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -52.21 -47.98 65.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.406 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -58.75 -47.82 83.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.562 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -59.02 -42.45 90.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.854 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 70' ' ' LYS . 13.1 mt -53.37 -73.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.518 ' HA ' ' CE2' ' A' ' 73' ' ' TRP . 6.2 ptpt -35.02 -55.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 72' ' ' LEU . 35.3 mm-40 -51.42 -53.45 36.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.48 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 6.7 tp -32.55 -64.95 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.518 ' CE2' ' HA ' ' A' ' 70' ' ' LYS . 7.8 p-90 -84.1 -55.24 4.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -33.77 -36.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' A' ' 73' ' ' TRP . 3.3 t80 -82.59 -52.82 6.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.46 ' HG2' ' CZ ' ' A' ' 81' ' ' TYR . 47.8 mt-30 -40.75 -40.6 1.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -49.94 -42.73 49.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -49.7 137.82 15.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -56.32 -41.14 75.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.489 ' HA ' HG12 ' A' ' 83' ' ' VAL . . . -48.45 -21.9 0.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.46 ' CZ ' ' HG2' ' A' ' 76' ' ' GLN . 41.9 t80 -70.73 -51.71 25.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.988 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -67.49 -56.38 9.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.565 ' O ' HG13 ' A' ' 83' ' ' VAL . 4.6 p -52.22 120.98 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.084 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 21.5 p -174.79 178.22 1.9 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.5 t -145.35 146.32 31.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.07 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -69.3 159.7 32.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.963 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 81.1 p -144.75 171.74 13.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.46 -157.83 15.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.462 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -176.78 1.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.622 2.215 . . . . 0.0 112.377 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.1 p -62.79 151.08 39.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.5 t -54.28 103.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -120.74 160.5 23.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 p -80.93 110.29 16.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.88 75.67 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 p -142.57 132.61 24.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -174.94 145.24 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.44 173.63 49.24 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.57 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.4 Cg_endo -69.75 145.38 57.06 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.353 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -85.77 111.97 20.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.21 114.58 5.07 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.574 0.702 . . . . 0.0 111.074 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 172.51 12.5 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.0 m -93.21 168.43 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 14' ' ' GLY . 78.9 p -95.38 146.48 24.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -35.57 -37.44 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.552 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.521 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 9.4 t80 -64.15 -54.54 32.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 110.906 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.841 ' HA ' HD12 ' A' ' 19' ' ' LEU . 92.0 t -66.94 -46.73 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 60' ' ' GLU . 6.6 ttp180 -41.74 -52.47 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.491 ' CZ ' ' HG3' ' A' ' 22' ' ' ARG . 1.5 t80 -60.09 -40.91 91.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.841 HD12 ' HA ' ' A' ' 16' ' ' VAL . 24.6 mt -61.56 -41.56 97.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -67.3 -32.38 73.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -70.2 -48.65 56.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.504 ' CB ' HD22 ' A' ' 42' ' ' LEU . 3.0 mmp_? -70.79 -35.58 72.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -38.85 -25.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 22' ' ' ARG . 6.0 tp10 -80.91 -53.99 5.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.412 ' OE1' ' NH1' ' A' ' 22' ' ' ARG . 6.0 pt20 -54.08 -37.43 64.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.724 HG21 HG23 ' A' ' 38' ' ' ILE . 40.8 mm -69.72 -39.83 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.9 mmm-85 -58.29 -54.45 46.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.8 m -46.42 -45.59 18.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 -72.24 -60.85 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -110.89 79.24 1.81 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.588 0.708 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -1.53 8.58 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.762 2.308 . . . . 0.0 112.383 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -100.37 -19.2 16.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 33' ' ' LEU . 8.9 mt -67.85 116.64 40.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.615 0.721 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.496 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.2 Cg_endo -69.7 163.97 36.21 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.751 2.301 . . . . 0.0 112.329 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.596 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -42.34 -58.0 3.98 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.6 0.714 . . . . 0.0 110.86 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.5 Cg_endo -69.76 19.35 0.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.697 2.264 . . . . 0.0 112.383 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.496 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 13.0 mm-40 -130.81 -24.44 2.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.724 HG23 HG21 ' A' ' 26' ' ' ILE . 96.4 mt -88.64 -38.51 11.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 m -66.73 -45.02 80.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 41' ' ' MET . 12.7 ptmt -51.91 -32.19 31.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.433 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 40.9 mtm -75.7 -42.86 49.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.504 HD22 ' CB ' ' A' ' 22' ' ' ARG . 68.8 mt -66.25 -42.03 89.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -47.76 -23.06 2.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.541 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.4 -36.61 29.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.72 0.295 . . . . 0.0 111.064 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -63.85 -41.17 97.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.597 ' CE3' HD12 ' A' ' 49' ' ' LEU . 71.5 t-105 -52.59 -42.77 64.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.9 t -73.38 -26.18 60.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.892 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -100.11 13.08 35.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.597 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.0 mt -72.94 159.84 33.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -74.73 157.34 85.98 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 0.0 110.949 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 0.65 5.34 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.297 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.88 -33.89 6.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -80.36 -53.77 6.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.567 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 15.2 tttt -52.13 -41.92 62.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -68.99 -49.0 61.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.983 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -54.12 -38.79 65.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -59.53 -36.1 75.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.9 mt -65.77 -59.98 3.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.98 -51.03 71.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' HB3' ' NH1' ' A' ' 17' ' ' ARG . 4.2 mm-40 -46.2 -56.5 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.24 -51.84 65.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.061 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -43.22 -53.52 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.793 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.408 ' CE ' ' HA ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -42.49 -40.41 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -66.16 -42.64 88.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.824 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -51.47 -52.68 44.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.805 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -45.78 -43.94 13.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.71 -54.09 50.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.57 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -53.74 -42.23 67.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.894 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 11.0 mt -54.07 -57.25 11.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HA ' ' CE2' ' A' ' 73' ' ' TRP . 14.6 mptt -48.86 -59.3 3.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 72' ' ' LEU . 6.6 mm-40 -43.7 -57.73 3.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.488 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 8.8 tp -31.88 -74.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.514 ' CE2' ' HA ' ' A' ' 70' ' ' LYS . 12.7 p-90 -74.88 -55.59 5.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -33.19 -35.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.045 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 73' ' ' TRP . 2.6 t80 -85.22 -49.31 8.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -44.67 -30.39 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -71.53 -36.6 71.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 75' ' ' TYR . 23.2 t -40.0 134.19 1.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -55.71 -46.75 77.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -45.26 -33.11 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -71.02 -45.2 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -71.37 -54.71 9.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 84' ' ' CYS . 12.6 p -44.26 -44.04 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.051 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.497 ' N ' HG13 ' A' ' 83' ' ' VAL . 9.9 m -61.46 166.02 4.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.6 ' O ' HG23 ' A' ' 85' ' ' THR . 14.2 t -50.72 115.97 1.73 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -172.67 130.92 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.8 t -42.47 126.53 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -132.43 82.08 0.31 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -37.97 8.44 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.5 m -44.04 116.19 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.815 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.9 m -60.09 -61.5 2.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.541 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.235 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -129.82 153.23 48.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.834 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 t -163.79 110.74 1.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.79 63.77 0.18 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.439 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.1 p -138.94 156.77 46.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -79.95 162.95 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.34 -157.84 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.571 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.7 Cg_endo -69.71 158.74 55.99 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.71 2.273 . . . . 0.0 112.356 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' C ' ' CE2' ' A' ' 68' ' ' TYR . 16.9 ttpp -92.62 109.53 20.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.522 ' N ' ' CE2' ' A' ' 68' ' ' TYR . . . -57.27 109.65 1.89 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.584 0.707 . . . . 0.0 111.085 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 10' ' ' ALA . 53.8 Cg_endo -69.72 -170.94 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.394 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.5 m -99.62 137.48 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 13' ' ' THR . 2.0 t -87.58 168.69 12.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.413 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -44.89 -20.67 0.24 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.517 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 18.0 t80 -78.55 -69.83 0.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.917 0.389 . . . . 0.0 110.935 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.699 ' HA ' HD12 ' A' ' 19' ' ' LEU . 95.9 t -57.77 -37.82 61.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.063 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.4 ttt-85 -53.94 -40.11 66.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -82.34 -27.13 32.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.902 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 16' ' ' VAL . 65.1 mt -65.45 -44.38 87.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -68.07 -48.52 65.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -51.93 -50.22 61.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.559 ' HB3' HD22 ' A' ' 42' ' ' LEU . 15.4 mmm180 -73.56 -42.65 61.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' HD2' HG21 ' A' ' 38' ' ' ILE . 7.1 tpt85 -40.66 -25.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 22' ' ' ARG . 7.8 tt0 -81.18 -55.32 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -46.42 -35.89 5.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.8 mm -69.53 -54.17 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.072 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -42.11 -36.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.0 m -66.82 -44.05 82.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.171 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -76.22 -54.39 6.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -109.0 80.98 1.41 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.561 0.696 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.85 -1.17 8.1 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.738 2.292 . . . . 0.0 112.288 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -100.08 -23.67 14.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.485 HD22 ' HB3' ' A' ' 37' ' ' GLU . 7.0 mt -69.07 119.52 70.52 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.605 0.717 . . . . 0.0 110.952 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.49 ' CG ' ' HG3' ' A' ' 37' ' ' GLU . 52.9 Cg_endo -69.8 -163.17 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.576 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -72.74 -58.63 2.68 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.588 0.708 . . . . 0.0 110.917 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 54.1 Cg_endo -69.78 19.6 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.65 2.233 . . . . 0.0 112.352 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.49 ' HG3' ' CG ' ' A' ' 34' ' ' PRO . 6.6 mm-40 -124.79 -22.73 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.401 HG21 ' HD2' ' A' ' 23' ' ' ARG . 56.9 mt -92.9 -50.59 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 m -55.23 -26.68 41.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 41' ' ' MET . 8.7 ptmt -72.57 -34.62 67.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.446 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 44.1 mtm -71.49 -51.32 24.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.559 HD22 ' HB3' ' A' ' 22' ' ' ARG . 72.3 mt -51.2 -48.49 61.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -38.31 -43.18 1.42 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.441 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.17 -35.99 80.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.738 0.304 . . . . 0.0 111.083 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 42' ' ' LEU . 16.8 mt-10 -65.18 -44.12 89.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.642 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.6 t-105 -48.64 -38.93 22.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.6 t -77.41 -32.46 54.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -89.74 14.93 10.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.642 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.4 mt -74.47 165.47 25.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -81.59 158.03 69.06 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.537 0.684 . . . . 0.0 110.978 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 2.17 3.77 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.704 2.269 . . . . 0.0 112.304 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.51 -37.13 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -77.67 -54.4 6.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.521 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 21.9 tttt -53.55 -46.89 70.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -63.71 -37.31 86.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -67.05 -39.34 86.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -60.54 -44.71 95.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.7 mt -57.04 -49.4 75.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -62.16 -53.05 60.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -48.99 -55.08 13.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.793 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.413 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -60.81 -45.48 94.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' LYS . 14.2 mt-10 -45.7 -54.95 7.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -42.26 -34.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -90.95 -24.54 20.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 62' ' ' GLU . 45.0 tttp -70.75 -42.15 70.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.873 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.2 pt20 -67.51 -43.33 81.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -54.44 -47.37 72.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.571 ' CD2' ' HB2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -70.4 -38.24 74.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.821 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.873 HD12 ' HA ' ' A' ' 66' ' ' GLN . 9.2 mt -50.37 -61.94 1.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.81 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 20.2 ptmt -53.38 -28.36 28.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -77.81 8.57 4.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.474 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 40.6 tp -114.56 -43.38 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.475 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 5.1 p-90 -102.38 -50.47 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.81 ' HB3' ' O ' ' A' ' 70' ' ' LYS . . . -47.65 -21.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.056 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -93.37 -51.37 5.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -51.93 -42.93 63.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 74' ' ' ALA . 1.2 pp0? -58.61 -25.4 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.6 p -54.56 138.8 39.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -55.53 -41.76 73.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.53 -20.59 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -84.57 -43.16 14.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.97 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -71.84 -45.66 60.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.928 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 p -59.63 133.17 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.057 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 44.6 t -117.27 -73.23 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.5 p -128.33 165.39 20.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.092 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -58.84 124.09 18.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 56.5 p -130.76 177.13 7.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.63 166.12 14.2 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.448 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -176.98 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.338 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.2 m -127.93 145.12 51.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.799 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.2 t -83.14 110.8 18.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.408 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.243 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 m -93.33 -44.02 8.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 110.803 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 t -72.54 122.17 20.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.79 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.37 169.07 0.13 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.46 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -175.03 163.99 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -118.06 129.51 55.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.27 -152.87 20.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.549 ' HG2' ' CE2' ' A' ' 68' ' ' TYR . 53.3 Cg_endo -69.76 135.63 30.93 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.655 2.236 . . . . 0.0 112.346 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -67.5 95.45 0.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.62 122.28 15.88 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 0.0 111.118 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 161.35 46.25 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.737 2.291 . . . . 0.0 112.366 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.3 m -78.16 132.33 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 16' ' ' VAL . 38.4 p -57.95 138.39 55.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' THR . . . -36.53 -32.43 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.537 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.457 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 6.6 t80 -69.49 -43.2 73.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.62 ' HA ' HD12 ' A' ' 19' ' ' LEU . 74.9 t -73.5 -50.53 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 -39.16 -46.59 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -64.32 -41.78 96.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.62 HD12 ' HA ' ' A' ' 16' ' ' VAL . 65.7 mt -58.89 -49.93 75.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -60.23 -54.28 47.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -55.1 -45.46 75.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.541 ' HB3' HD22 ' A' ' 42' ' ' LEU . 31.0 mmt-85 -75.43 -26.02 57.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.542 ' HA ' HD11 ' A' ' 42' ' ' LEU . 16.6 ttm-85 -48.94 -59.7 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -39.77 -58.43 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -48.56 -36.22 15.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.677 ' CG1' HD21 ' A' ' 42' ' ' LEU . 43.4 mm -76.16 -40.98 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -61.03 -41.87 97.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.0 m -59.26 -43.2 92.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.9 mtt85 -73.4 -52.61 13.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -119.71 81.48 25.36 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.545 0.688 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.79 -0.72 7.34 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.623 2.215 . . . . 0.0 112.274 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -100.45 -29.9 12.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 37' ' ' GLU . 8.7 mt -53.67 117.07 11.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.629 0.728 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.508 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.5 Cg_endo -69.71 163.41 38.34 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.38 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.605 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -41.94 -57.97 3.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.622 0.725 . . . . 0.0 110.903 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.8 Cg_endo -69.72 19.27 0.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.739 2.293 . . . . 0.0 112.376 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.508 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 3.7 mm-40 -130.85 -20.34 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.602 HG23 HG21 ' A' ' 26' ' ' ILE . 96.9 mt -92.67 -32.37 4.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.6 m -73.46 -40.09 64.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -58.72 -28.1 65.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.8 mtm -80.02 -50.11 10.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.677 HD21 ' CG1' ' A' ' 26' ' ' ILE . 79.8 mt -65.39 -29.97 70.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.04 -50.96 61.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.32 -32.81 39.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.777 0.322 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -67.36 -43.94 80.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.669 ' CE3' HD12 ' A' ' 49' ' ' LEU . 71.7 t-105 -56.75 -40.72 76.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.5 t -72.48 -22.45 61.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.827 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -102.8 19.84 18.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.669 HD12 ' CE3' ' A' ' 46' ' ' TRP . 11.7 mt -79.11 160.43 27.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -78.76 159.39 74.06 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.568 0.699 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 2.03 3.94 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.313 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.29 -36.61 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -78.33 -54.37 6.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.516 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 6.9 tttp -48.74 -42.88 36.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.961 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.473 ' HA ' HD12 ' A' ' 58' ' ' LEU . 20.9 tp60 -66.07 -46.34 78.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.7 ttm105 -53.23 -44.2 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -57.76 -45.8 85.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 55' ' ' GLN . 25.9 mt -57.36 -41.13 79.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -68.66 -47.08 67.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -48.59 -48.3 39.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.4 ' HB2' ' HA2' ' A' ' 14' ' ' GLY . . . -70.35 -46.95 63.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.056 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -48.31 -56.63 7.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -43.32 -46.7 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -60.5 -42.36 96.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 66' ' ' GLN . 31.7 tptt -47.1 -53.42 12.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 65' ' ' LYS . 13.8 mm-40 -36.23 -51.95 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -55.84 -59.27 5.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.549 ' CE2' ' HG2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -50.41 -55.11 17.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.877 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.588 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 24.3 mt -45.64 -58.0 3.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.505 ' HA ' ' CE2' ' A' ' 73' ' ' TRP . 2.1 mmmm -48.19 -60.97 2.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' A' ' 72' ' ' LEU . 13.0 mm-40 -45.91 -56.86 4.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.483 ' C ' ' O ' ' A' ' 71' ' ' GLU . 5.2 tp -31.3 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 11.9 p-90 -72.47 -53.87 10.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 70' ' ' LYS . . . -36.93 -29.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.051 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 73' ' ' TRP . 1.6 t80 -87.99 -47.35 8.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -48.64 -19.49 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 78' ' ' SER . 23.2 mt-30 -85.14 -40.22 16.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 77' ' ' GLN . 59.8 p -35.85 125.7 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 82' ' ' LYS . 9.1 pt-20 -47.16 -49.99 21.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.488 ' HA ' HG12 ' A' ' 83' ' ' VAL . . . -40.3 -31.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.065 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -67.63 -43.88 79.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 79' ' ' GLU . 15.6 mtpp -72.65 -58.62 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 80' ' ' ALA . 8.3 p -47.46 -35.32 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 21.5 m -79.51 146.02 32.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 85' ' ' THR . 5.4 m 62.84 36.84 12.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.18 166.82 15.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.2 t -120.36 162.76 18.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.443 ' N ' ' HD2' ' A' ' 89' ' ' PRO . . . -40.9 -61.65 1.9 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.443 ' HD2' ' N ' ' A' ' 88' ' ' GLY . 53.9 Cg_endo -69.83 105.39 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.634 2.223 . . . . 0.0 112.313 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.1 m -111.57 144.47 40.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.6 m -120.17 167.8 11.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.826 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.521 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -98.98 -61.56 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.898 0.38 . . . . 0.0 110.886 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t 61.8 43.53 9.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.21 76.53 1.0 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 t -67.8 -51.75 45.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.92 0.39 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 m -128.67 153.73 47.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.61 -172.82 0.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.527 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.491 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.81 151.29 68.72 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.576 2.184 . . . . 0.0 112.388 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -93.67 109.75 21.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.39 110.51 1.03 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.537 0.684 . . . . 0.0 111.093 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.517 ' HD3' ' CD2' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.8 167.59 24.05 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.367 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.445 HG12 HG11 ' A' ' 16' ' ' VAL . 35.5 m -82.28 127.66 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 14' ' ' GLY . 6.5 t -82.14 162.47 22.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.467 ' N ' ' CB ' ' A' ' 61' ' ' ALA . . . -34.84 -37.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.548 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.526 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 25.5 t80 -63.61 -60.98 2.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.371 . . . . 0.0 110.918 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.445 HG11 HG12 ' A' ' 12' ' ' VAL . 55.5 t -65.31 -52.18 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.1 ttt-85 -38.94 -44.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.4 OUTLIER -73.74 -45.48 51.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.526 HD11 ' CZ ' ' A' ' 15' ' ' TYR . 6.0 mt -52.01 -40.5 61.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -67.27 -64.63 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -41.67 -43.43 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.441 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 41.8 mmt-85 -78.62 -38.16 40.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.643 ' HA ' HD11 ' A' ' 42' ' ' LEU . 3.3 tmt_? -43.32 -39.51 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -63.77 -39.74 95.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -62.99 -35.79 81.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.598 HG21 HG23 ' A' ' 38' ' ' ILE . 31.4 mm -71.78 -37.54 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -68.51 -42.0 79.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 m -59.77 -37.05 77.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -82.2 -48.84 10.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -122.15 80.94 44.04 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.606 0.717 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -0.68 7.34 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -100.28 -26.21 13.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' A' ' 37' ' ' GLU . 8.8 mt -57.25 118.68 26.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.651 0.738 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.488 ' HG2' ' CG ' ' A' ' 37' ' ' GLU . 54.3 Cg_endo -69.72 163.62 37.54 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.72 2.28 . . . . 0.0 112.316 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.566 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -42.09 -57.95 3.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.607 0.718 . . . . 0.0 110.807 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 35' ' ' PHE . 53.3 Cg_endo -69.87 19.34 0.19 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.488 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 11.1 mm-40 -130.57 -20.32 2.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.598 HG23 HG21 ' A' ' 26' ' ' ILE . 99.3 mt -93.14 -36.0 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.9 m -71.57 -37.98 71.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -32.95 70.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.527 ' HE3' HD12 ' A' ' 26' ' ' ILE . 25.8 mtm -77.42 -32.65 54.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.643 HD11 ' HA ' ' A' ' 23' ' ' ARG . 72.6 mt -77.21 -61.08 2.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -38.91 -40.38 1.07 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.466 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.84 -38.75 92.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.672 0.272 . . . . 0.0 111.084 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' LEU . 31.0 mm-40 -63.84 -44.64 92.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.568 ' CE3' HD12 ' A' ' 49' ' ' LEU . 60.8 t-105 -44.96 -40.93 6.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.7 t -74.1 -28.89 61.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.823 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -89.25 16.47 7.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.568 HD12 ' CE3' ' A' ' 46' ' ' TRP . 12.0 mt -77.94 160.84 27.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.977 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -78.65 159.05 75.04 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.555 0.693 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 2.04 3.92 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.691 2.26 . . . . 0.0 112.308 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.65 -37.6 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -76.61 -55.15 5.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.488 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 6.0 tttp -48.6 -47.16 40.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -61.79 -49.47 76.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -50.51 -56.42 11.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -44.74 -57.37 3.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 28.5 mt -48.31 -39.65 22.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -78.64 -25.95 45.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -73.79 -19.98 60.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.467 ' CB ' ' N ' ' A' ' 14' ' ' GLY . . . -102.07 -45.06 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -46.55 -31.87 3.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -69.76 -41.83 74.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -70.02 -30.95 68.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.453 ' HG2' ' CD2' ' A' ' 69' ' ' LEU . 5.0 ttpm? -55.86 -45.11 78.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -54.46 -35.81 63.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.8 -17.39 63.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.517 ' CD2' ' HD3' ' A' ' 11' ' ' PRO . 1.3 t80 -92.55 -31.54 15.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.512 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 3.4 mm? -59.7 -57.07 14.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.673 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 14.3 ptpt -54.21 -42.06 69.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.91 -10.39 5.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.476 ' CA ' ' HG3' ' A' ' 8' ' ' PRO . 14.5 tp -91.36 -51.07 5.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.512 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 6.3 p-90 -98.09 -51.64 3.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 70' ' ' LYS . . . -46.84 -21.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -97.93 -46.67 5.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -53.66 -47.08 70.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -95.08 74.45 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.5 t -156.52 150.62 25.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -49.33 -42.18 40.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.34 -44.36 79.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -45.74 -45.63 14.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.487 ' O ' ' C ' ' A' ' 83' ' ' VAL . 68.3 mttt -82.02 -56.49 3.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.696 ' O ' HG13 ' A' ' 83' ' ' VAL . 5.6 p 29.22 43.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' LYS . 29.4 m -151.12 176.51 11.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' CYS . 79.4 m -37.46 120.75 0.81 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -159.89 128.49 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.7 p -61.64 -55.63 28.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.54 157.96 24.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 173.43 11.02 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.6 p -47.31 128.89 12.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.6 m -56.24 -53.97 50.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.476 -179.996 . . . . . . . . 0 0 . 1 stop_ save_